General Information of the Compound
| Compound ID |
CP0554107
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| Compound Name |
1-[4-[[4-[(3,4-dimethoxybenzoyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-(prop-2-enoylamino)phenyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C29H33N7O6
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| Molecular Weight |
575.626
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)Nc1ccnc(Nc2cc(NC(=O)C=C)c(cc2OC)N2CCC(CC2)C(N)=O)n1
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| InChI |
InChI=1S/C29H33N7O6/c1-5-26(37)32-19-15-20(23(41-3)16-21(19)36-12-9-17(10-13-36)27(30)38)33-29-31-11-8-25(35-29)34-28(39)18-6-7-22(40-2)24(14-18)42-4/h5-8,11,14-17H,1,9-10,12-13H2,2-4H3,(H2,30,38)(H,32,37)(H2,31,33,34,35,39)
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| InChIKey |
CVFQQMCXCUUBCT-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