General Information of the Compound
| Compound ID |
CP0040550
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| Compound Name |
([5-(4-Methyl-1-piperazinyl)-2-({methyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)imidazo[1,2-a]pyridin-3-yl]methanol)
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| Synonyms |
CXCR4 receptor antagonists (HIV-1 infection)
CXCR4 receptor antagonists (HIV-1 infection), GlaxoSmithKline
GSK-812397
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| Structure |
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| Formula |
C24H32N6O
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| Molecular Weight |
420.561
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| Canonical SMILES |
CN(Cc1nc2cccc(N3CCN(C)CC3)n2c1CO)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1
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| InChIKey |
QUDMHFVRKBVGBY-FQEVSTJZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound