General Information of the Compound
| Compound ID |
CP0438719
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| Compound Name |
N-[8-[[(3S)-4-benzoyl-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide
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| Structure |
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| Formula |
C27H29N7O2
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| Molecular Weight |
483.576
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| Canonical SMILES |
C[C@H]1CN(Cc2c(C)c(NC(=O)c3ccc(C)nc3)cn3ncnc23)CCN1C(=O)c1ccccc1
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| InChI |
InChI=1S/C27H29N7O2/c1-18-9-10-22(13-28-18)26(35)31-24-16-34-25(29-17-30-34)23(20(24)3)15-32-11-12-33(19(2)14-32)27(36)21-7-5-4-6-8-21/h4-10,13,16-17,19H,11-12,14-15H2,1-3H3,(H,31,35)/t19-/m0/s1
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| InChIKey |
OCDURLIAWKCBFY-IBGZPJMESA-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