General Information of the Compound
| Compound ID |
CP0204538
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| Compound Name |
N-[3-[[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]carbamoylamino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C30H36N8O4
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| Molecular Weight |
572.67
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| Canonical SMILES |
COc1cc(ccc1Nc1nccc(NC(=O)Nc2cccc(NC(=O)C=C)c2)n1)N1CCC(CC1)N1CCOCC1
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| InChI |
InChI=1S/C30H36N8O4/c1-3-28(39)32-21-5-4-6-22(19-21)33-30(40)36-27-9-12-31-29(35-27)34-25-8-7-24(20-26(25)41-2)37-13-10-23(11-14-37)38-15-17-42-18-16-38/h3-9,12,19-20,23H,1,10-11,13-18H2,2H3,(H,32,39)(H3,31,33,34,35,36,40)
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| InChIKey |
AWGYTZLSGFMHPT-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