General Information of the Compound
| Compound ID |
CP0481256
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| Compound Name |
N-[3-chloro-4-[4-(cyclopropylmethylamino)piperidin-1-yl]phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide
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| Structure |
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| Formula |
C24H29ClF3N5O
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| Molecular Weight |
495.977
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| Canonical SMILES |
CC(C)(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1nccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C24H29ClF3N5O/c1-23(2,21-29-10-7-20(32-21)24(26,27)28)22(34)31-17-5-6-19(18(25)13-17)33-11-8-16(9-12-33)30-14-15-3-4-15/h5-7,10,13,15-16,30H,3-4,8-9,11-12,14H2,1-2H3,(H,31,34)
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| InChIKey |
BXQUPBXNBPJMNC-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