General Information of the Compound
| Compound ID |
CP0469347
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| Compound Name |
N-[5-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-methylpyridine-3-carboxamide
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| Structure |
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| Formula |
C27H35N7O2
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| Molecular Weight |
489.624
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| Canonical SMILES |
C[C@H]1CN(Cc2c(C)c(NC(=O)c3ccc(C)nc3)cc3nnc(C)n23)CCN1C(=O)C1CCCC1
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| InChI |
InChI=1S/C27H35N7O2/c1-17-9-10-22(14-28-17)26(35)29-23-13-25-31-30-20(4)34(25)24(19(23)3)16-32-11-12-33(18(2)15-32)27(36)21-7-5-6-8-21/h9-10,13-14,18,21H,5-8,11-12,15-16H2,1-4H3,(H,29,35)/t18-/m0/s1
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| InChIKey |
GZOAJSWQULWXOA-SFHVURJKSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound