General Information of the Compound
| Compound ID |
CP0868808
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| Compound Name |
N-[4-[(E)-2-[4-[(5-tert-Butyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
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| Formula |
C27H34N8O
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| Molecular Weight |
486.624
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| Canonical SMILES |
C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3cc(C(C)(C)C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1
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| InChI |
InChI=1S/C27H34N8O/c1-6-26(36)28-20-10-7-19(8-11-20)9-12-22-29-23(30-24-17-21(32-33-24)27(2,3)4)18-25(31-22)35-15-13-34(5)14-16-35/h6-12,17-18H,1,13-16H2,2-5H3,(H,28,36)(H2,29,30,31,32,33)/b12-9+
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| InChIKey |
SNLYEBDKQHARIO-FMIVXFBMSA-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