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Biochemicals

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  1. STK16-IN-1, Inhibitor of mechanistic target of rapamycin kinase;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma;Inhibitor of serine/threonine kinas
    Cas Number: 1223001-53-3        Compound CID:  58525066
    Formula:  C17H12FN3O        Molecular Weight: 293.3
    IUPAC Name:  1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
    SMILES:  CC1=C(C=CC(=C1)N2C(=O)C=CC3=CN=C4C(=C32)C=CN4)F
    InChIKey: WQNRDXHKVSKUPI-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H12FN3O/c1-10-8-12(3-4-14(10)18)21-15(22)5-2-11-9-20-17-13(16(11)21)6-7-19-17/h2-9H,1H3,(H,19,20)
    Synonyms: SCHEMBL1368254 | 1-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-h][1,6]naphthyridin-2(7H)-one | YYB00153 | 1-(4-Fluoro-3-...
  2. Stevioside, Agonist of TAS2R4
    Cas Number: 57817-89-7        EC Number: 260-975-5        Compound CID:  442089
    Formula:  C38H60O18        Molecular Weight: 804.88
    IUPAC Name:  [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4Sshow more
    SMILES:  CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O
    InChIKey: UEDUENGHJMELGK-HYDKPPNVSA-N
    InChI:  InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(1show more
    Synonyms: KAUR-16-EN-18-OIC ACID, 13-((2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, .BETA.-D-GLUCOPYRANOSYL ESTER...
  3. Temsirolimus (CCI-779, NSC 683864), FK506-binding protein 1A inhibitor
    Cas Number: 162635-04-3        Compound CID:  6918289
    Formula:  C56H87NO16        Molecular Weight: 1030.29
    IUPAC Name:  [(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,show more
    SMILES:  CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC
    InChIKey: CBPNZQVSJQDFBE-FUXHJELOSA-N
    InChI:  InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)show more
    Synonyms: AB01274736-01 | DTXSID2040945 | CBPNZQVSJQDFBE-FUXHJELOSA-N | NCGC00167518-09 | TEMSIROLIMUS (MART.) | temsirolimusum...
  4. 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...
  5. Stevioside hydrate, Agonist of TAS2R4
    Cas Number: 57817-89-7        EC Number: 260-975-5        Compound CID:  442089
    Formula:  C38H60O18        Molecular Weight: 804.88
    IUPAC Name:  [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4Sshow more
    SMILES:  CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O
    InChIKey: UEDUENGHJMELGK-HYDKPPNVSA-N
    InChI:  InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(1show more
    Synonyms: Stevioside|57817-89-7|Steviosin|CHEBI:9271|Rebaudin|UNII-0YON5MXJ9P|0YON5MXJ9P|Diterpene glycoside|STEVIBIOSIDE|CCRIS...
  6. 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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