General Information of the Compound
| Compound ID |
CP0870485
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| Compound Name |
N-[4-[(E)-2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
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| Formula |
C26H30N8O
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| Molecular Weight |
470.581
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| Canonical SMILES |
C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)cc1
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| InChI |
InChI=1S/C26H30N8O/c1-3-26(35)27-20-9-4-18(5-10-20)6-11-22-28-23(29-24-16-21(31-32-24)19-7-8-19)17-25(30-22)34-14-12-33(2)13-15-34/h3-6,9-11,16-17,19H,1,7-8,12-15H2,2H3,(H,27,35)(H2,28,29,30,31,32)/b11-6+
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| InChIKey |
RPSAMANQENELCZ-IZZDOVSWSA-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