General Information of the Compound
| Compound ID |
CP0488277
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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-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H30ClN9O3
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| Molecular Weight |
576.061
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| Canonical SMILES |
CNCC(=O)N1CCN(CC1)c1cc(OC)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cc1NC(=O)C=C
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| InChI |
InChI=1S/C28H30ClN9O3/c1-4-25(39)33-20-13-21(24(41-3)14-23(20)36-9-11-37(12-10-36)26(40)17-30-2)34-28-31-16-19(29)27(35-28)18-15-32-38-8-6-5-7-22(18)38/h4-8,13-16,30H,1,9-12,17H2,2-3H3,(H,33,39)(H,31,34,35)
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| InChIKey |
SIKCGJIZDJHPPU-UHFFFAOYSA-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