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HIV Integrase

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  1. Cabotegravir, Human immunodeficiency virus type 1 integrase inhibitor
    Cas Number: 1051375-10-0
    Formula:  C19H17F2N3O5        Molecular Weight: 405.3522
    IUPAC Name:  (3R,6S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
    SMILES:  CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
    InChIKey: WCWSTNLSLKSJPK-LKFCYVNXSA-N
    InChI:  InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/show more
    Synonyms: (3S,11AR)-N-(2,4-difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyra...
  2. Cabotegravir sodium, Human immunodeficiency virus type 1 integrase inhibitor
      Grade & Purity: 
    • ≥99%
    Cas Number: 1051375-13-3        EC Number: 857-514-0        Compound CID:  46215800
    Formula:  C19H16F2N3NaO5        Molecular Weight: 427.33
    IUPAC Name:  sodium;(3R,6S)-12-[(2,4-difluorophenyl)methylcarbamoyl]-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-dien-10-olate
    SMILES:  CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+]
    InChIKey: AEZBWGMXBKPGFP-KIUAEZIZSA-M
    InChI:  InChI=1S/C19H17F2N3O5.Na/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21;/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,show more
    Synonyms: Q27257476 | Cabotegravir (sodium) | CABOTEGRAVIR SODIUM [ORANGE BOOK] | EN300-97513 | F11513 | Tox21_111391 | Caboteg...
  3. HIV-1 integrase inhibitor 8
      Grade & Purity: 
    • ≥99%
    Cas Number: 1568-80-5        Compound CID:  74071
    Formula:  C21H24O2        Molecular Weight: 308.4
    IUPAC Name:  1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
    SMILES:  CC1(CC2(CC(C3=C2C=C(C=C3)O)(C)C)C4=C1C=CC(=C4)O)C
    InChIKey: SICLLPHPVFCNTJ-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H24O2/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,22-23H,11-12H2,1-4H3
    Synonyms: 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol | 3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-6,6'-diol | Pheny...
  4. Robinetin
      Grade & Purity: 
    • ≥97%
    Cas Number: 490-31-3        Compound CID:  5281692
    Formula:  C15H10O7        Molecular Weight: 302.24
    IUPAC Name:  3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
    SMILES:  C1=CC2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O
    InChIKey: SOEDEYVDCDYMMH-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
    Synonyms: E87017 | 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one | BDBM50033767 | KJ6DBC4U7E | SCHEMBL217743 |...
  5. BI 224436
      Grade & Purity: 
    • ≥99%
    Cas Number: 1155419-89-8        Compound CID:  66561902
    Formula:  C27H26N2O4        Molecular Weight: 442.51
    IUPAC Name:  (2S)-2-[2-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
    SMILES:  CC1=NC2=CC=CC=C2C(=C1C(C(=O)O)OC(C)(C)C)C3=C4C5=C(C=C3)OCCC5=CC=N4
    InChIKey: MIXIIJCBELCMCZ-VWLOTQADSA-N
    InChI:  InChI=1S/C27H26N2O4/c1-15-21(25(26(30)31)33-27(2,3)4)23(17-7-5-6-8-19(17)29-15)18-9-10-20-22-16(12-14-32-20)11-13-28-24(18)22/h5-11,13,25H,12,14H2,1-4show more
    Synonyms: BDBM50011134 | SCHEMBL12987894 | (2S)-2-[2-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-1...
  6. 1,5-Naphthyridine-3-carboxamide, 7-((4-fluorophenyl)methyl)-1,2-dihydro-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-, Human immunodeficiency virus type 1 integrase inhibitor
    Cas Number: 863434-13-3        Compound CID:  54718859
    Formula:  C19H18FN3O4        Molecular Weight: 371.4
    IUPAC Name:  7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
    SMILES:  CN1C2=C(C(=C(C1=O)C(=O)NCCO)O)N=CC(=C2)CC3=CC=C(C=C3)F
    InChIKey: QWLNINWUBHHOLU-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26)
    Synonyms: GSK-364735 | BDBM50045107 | 1,5-Naphthyridine-3-carboxamide, 7-((4-fluorophenyl)methyl)-1,2-dihydro-4-hydroxy-N-(2-hy...
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