General Information of the Compound
| Compound ID |
CP0529931
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| Compound Name |
N-[5-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-3-(4-methylpiperazin-1-yl)pyridin-2-yl]oxy-2-methylphenyl]prop-2-enamide
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| Structure |
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| Formula |
C32H41N7O3
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| Molecular Weight |
571.726
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| Canonical SMILES |
COc1cc(ccc1Nc1ccc(N2CCN(C)CC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C32H41N7O3/c1-6-31(40)34-27-22-25(9-7-23(27)2)42-32-28(39-19-15-37(4)16-20-39)11-12-30(35-32)33-26-10-8-24(21-29(26)41-5)38-17-13-36(3)14-18-38/h6-12,21-22H,1,13-20H2,2-5H3,(H,33,35)(H,34,40)
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| InChIKey |
NLNKYGYNCGYYSC-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