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Biochemicals

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  1. Regorafenib (BAY 73-4506), Nerve growth factor receptor Trk-A
    Cas Number: 755037-03-7        Compound CID:  11167602
    Formula:  C21H15ClF4N4O3        Molecular Weight: 482.82
    IUPAC Name:  4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
    SMILES:  CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F
    InChIKey: FNHKPVJBJVTLMP-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29show more
    Synonyms: CCG-269571 | AB00076187-01 | CHEBI:68647 | 755037-03-7 , Regorafenib | AC-25075 | MFCD16038047 | Regorafenib,BAY 73-4...
  2. Dorsomorphin, Inhibitor of EPH receptor A2;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of kinase insert domain receptor;Inhibitor of LCK proto-oncogene; Src family tyrosine kinase;Inhibitor of MAPK i
    Cas Number: 866405-64-3
    Formula:  C24H25N5O        Molecular Weight: 399.49
    IUPAC Name:  6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
    SMILES:  C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3
    InChIKey: XHBVYDAKJHETMP-UHFFFAOYSA-N
    InChI:  InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
    Synonyms: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-pyrazolo[1,5-a]pyrimidine | AC-27419 | SY256013 | AM20061004 | Do...
  3. Ketoconazole, Inhibitor of CYP3A4;Channel blocker of K v1.8
    Cas Number: 65277-42-1        EC Number: 265-667-4
    Formula:  C26H28Cl2N4O4        Molecular Weight: 531.43
    IUPAC Name:  1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
    SMILES:  CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
    InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N
    InChI:  InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,2show more
    Synonyms: HMS3678J17 | Ketoconazole (k) | KTZ | MLS002222255 | N-(1,3,4-Trihydroxyoctadecan-2-yl)octadecanimidic acid | NCGC000...
  4. (±)-Baclofen, GABA-B receptor agonist
    Cas Number: 1134-47-0        EC Number: 214-486-9
    Formula:  C10H12ClNO2        Molecular Weight: 213.66
    IUPAC Name:  4-amino-3-(4-chlorophenyl)butanoic acid
    SMILES:  C1=CC(=CC=C1C(CC(=O)O)CN)Cl
    InChIKey: KPYSYYIEGFHWSV-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
    Synonyms: .beta.-(Aminomethyl)-p-chlorohydrocinnamic acid | Baclofen (USAN:USP:INN:BAN:JAN) | BACLOFEN [USP-RS] | Lioresal Intr...
  5. 4-Aminobutyric Acid
    Cas Number: 56-12-2        EC Number: 200-258-6
    Formula:  C4H9NO2        Molecular Weight: 103.12
    IUPAC Name:  4-aminobutanoic acid
    SMILES:  C(CC(=O)O)CN
    InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
    Synonyms: 3-Carboxypropylamine | 4-amino-n-butyric acid | butanoic acid, 4-amino- | EPA Pesticide Chemical Code 030802 | Gammal...
  6. GABA
    Cas Number: 56-12-2        EC Number: 200-258-6
    Formula:  C4H9NO2        Molecular Weight: 103.12
    IUPAC Name:  4-aminobutanoic acid
    SMILES:  C(CC(=O)O)CN
    InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
    Synonyms: 3-Carboxypropylamine | 4-amino-n-butyric acid | butanoic acid, 4-amino- | EPA Pesticide Chemical Code 030802 | Gammal...
  7. γ-Aminobutyric acid, Agonist of GABA B1;Agonist of GABA B receptor
    Cas Number: 56-12-2        EC Number: 200-258-6
    Formula:  C4H9NO2        Molecular Weight: 103.12
    IUPAC Name:  4-aminobutanoic acid
    SMILES:  C(CC(=O)O)CN
    InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
    Synonyms: 4-aminobutyric acid|4-Aminobutanoic acid|gamma-aminobutyric acid|GABA|56-12-2|Piperidic acid|Piperidinic acid|Aminalo...
  8. γ-Aminobutyric acid, Agonist of GABA B1;Agonist of GABA B receptor
    Cas Number: 56-12-2        EC Number: 200-258-6
    Formula:  C4H9NO2        Molecular Weight: 103.12
    IUPAC Name:  4-aminobutanoic acid
    SMILES:  C(CC(=O)O)CN
    InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
    Synonyms: GABA | 3-Carboxypropylamine | 4-amino-n-butyric acid | butanoic acid, 4-amino- | EPA Pesticide Chemical Code 030802 |...
  9. Ketoconazole
    Cas Number: 65277-42-1        EC Number: 265-667-4
    Formula:  C26H28Cl2N4O4        Molecular Weight: 531.43
    IUPAC Name:  1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
    SMILES:  CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
    InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N
    InChI:  InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,2show more
    Synonyms: HMS3678J17 | Ketoconazole (k) | KTZ | MLS002222255 | N-(1,3,4-Trihydroxyoctadecan-2-yl)octadecanimidic acid | NCGC000...
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