General Information of the Compound
| Compound ID |
CP0348152
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| Compound Name |
N-[5-[3-(3-hydroxypiperidin-1-yl)-6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyridin-2-yl]oxy-2-methylphenyl]prop-2-enamide
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| Structure |
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| Formula |
C32H40N6O4
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| Molecular Weight |
572.71
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| Canonical SMILES |
COc1cc(ccc1Nc1ccc(N2CCCC(O)C2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C32H40N6O4/c1-5-31(40)34-27-20-25(10-8-22(27)2)42-32-28(38-14-6-7-24(39)21-38)12-13-30(35-32)33-26-11-9-23(19-29(26)41-4)37-17-15-36(3)16-18-37/h5,8-13,19-20,24,39H,1,6-7,14-18,21H2,2-4H3,(H,33,35)(H,34,40)
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| InChIKey |
NVVMUQZCIADBFK-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