General Information of the Compound
| Compound ID |
CP0551212
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| Compound Name |
N-[8-[[(3S)-4-(3,3-difluorocyclopentanecarbonyl)-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 |
C26H31F2N7O2
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| Molecular Weight |
511.577
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| Canonical SMILES |
C[C@H]1CN(Cc2c(C)c(NC(=O)c3ccc(C)nc3)cn3ncnc23)CCN1C(=O)C1CCC(F)(F)C1
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| InChI |
InChI=1S/C26H31F2N7O2/c1-16-4-5-20(11-29-16)24(36)32-22-14-35-23(30-15-31-35)21(18(22)3)13-33-8-9-34(17(2)12-33)25(37)19-6-7-26(27,28)10-19/h4-5,11,14-15,17,19H,6-10,12-13H2,1-3H3,(H,32,36)/t17-,19?/m0/s1
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| InChIKey |
KSONTCNSIWBUPP-KKFHFHRHSA-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