General Information of the Compound
| Compound ID |
CP0463430
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| Compound Name |
N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[4-[(2S)-2-hydroxypropanoyl]piperazin-1-yl]-4-methoxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H29ClN8O4
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| Molecular Weight |
577.045
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| Canonical SMILES |
COc1cc(N2CCN(CC2)C(=O)[C@H](C)O)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
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| InChI |
InChI=1S/C28H29ClN8O4/c1-4-25(39)32-20-13-21(24(41-3)14-23(20)35-9-11-36(12-10-35)27(40)17(2)38)33-28-30-16-19(29)26(34-28)18-15-31-37-8-6-5-7-22(18)37/h4-8,13-17,38H,1,9-12H2,2-3H3,(H,32,39)(H,30,33,34)/t17-/m0/s1
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| InChIKey |
VEDKPNPRFKDNNC-KRWDZBQOSA-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