General Information of the Compound
| Compound ID |
CP0521635
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| Compound Name |
N-[3-[[5-chloro-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 |
C30H35ClN8O4
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| Molecular Weight |
607.115
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(NC(=O)Nc2cccc(NC(=O)C=C)c2)n1)N1CCC(CC1)N1CCOCC1
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| InChI |
InChI=1S/C30H35ClN8O4/c1-3-27(40)33-20-5-4-6-21(17-20)34-30(41)37-28-24(31)19-32-29(36-28)35-25-8-7-23(18-26(25)42-2)38-11-9-22(10-12-38)39-13-15-43-16-14-39/h3-8,17-19,22H,1,9-16H2,2H3,(H,33,40)(H3,32,34,35,36,37,41)
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| InChIKey |
GOKFAZOSPCHSOH-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