General Information of the Compound
| Compound ID |
CP0908818
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| Compound Name |
N-(5-((5-Chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-4-methoxy-2-(4-methyl-1,4-diazepan-1-yl)phenyl)propionamide
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| Structure |
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| Formula |
C29H38ClN7O4S
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| Molecular Weight |
616.188
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| Canonical SMILES |
CCC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC)cc1N1CCCN(C)CC1
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| InChI |
InChI=1S/C29H38ClN7O4S/c1-6-27(38)32-22-16-23(25(41-5)17-24(22)37-13-9-12-36(4)14-15-37)34-29-31-18-20(30)28(35-29)33-21-10-7-8-11-26(21)42(39,40)19(2)3/h7-8,10-11,16-19H,6,9,12-15H2,1-5H3,(H,32,38)(H2,31,33,34,35)
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| InChIKey |
SETLTRHALMAJFT-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