General Information of the Compound
| Compound ID |
CP0473308
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| Compound Name |
N-[2-methoxy-5-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-3-pyrrolidin-1-ylpyridin-2-yl]oxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C31H38N6O4
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| Molecular Weight |
558.683
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| Canonical SMILES |
COc1ccc(Oc2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ccc2N2CCCC2)cc1NC(=O)C=C
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| InChI |
InChI=1S/C31H38N6O4/c1-5-30(38)33-25-21-23(9-12-27(25)39-3)41-31-26(37-14-6-7-15-37)11-13-29(34-31)32-24-10-8-22(20-28(24)40-4)36-18-16-35(2)17-19-36/h5,8-13,20-21H,1,6-7,14-19H2,2-4H3,(H,32,34)(H,33,38)
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| InChIKey |
WDPRWBSLRSAWMZ-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