General Information of the Compound
| Compound ID |
CP0955948
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| Compound Name |
N-[4-[(E)-2-[4-[(5-Methyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
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| Formula |
C24H27N7OS
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| Molecular Weight |
461.595
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| Canonical SMILES |
C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3ncc(C)s3)cc(N3CCN(C)CC3)n2)cc1
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| InChI |
InChI=1S/C24H27N7OS/c1-4-23(32)26-19-8-5-18(6-9-19)7-10-20-27-21(29-24-25-16-17(2)33-24)15-22(28-20)31-13-11-30(3)12-14-31/h4-10,15-16H,1,11-14H2,2-3H3,(H,26,32)(H,25,27,28,29)/b10-7+
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| InChIKey |
LDOCDWKQVMOLLD-JXMROGBWSA-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