General Information of the Compound
| Compound ID |
CP0415838
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| Compound Name |
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxy-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C31H34ClN9O3
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| Molecular Weight |
616.126
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| Canonical SMILES |
COc1cc(N2CCN(CC2)C(=O)[C@H]2CCCCN2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
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| InChI |
InChI=1S/C31H34ClN9O3/c1-3-28(42)36-23-16-24(37-31-34-19-21(32)29(38-31)20-18-35-41-11-7-5-9-25(20)41)27(44-2)17-26(23)39-12-14-40(15-13-39)30(43)22-8-4-6-10-33-22/h3,5,7,9,11,16-19,22,33H,1,4,6,8,10,12-15H2,2H3,(H,36,42)(H,34,37,38)/t22-/m1/s1
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| InChIKey |
RYKMWJWUJDVQOB-JOCHJYFZSA-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