General Information of the Compound
| Compound ID |
CP0527679
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| Compound Name |
N-[3-chloro-4-[4-(cyclopropylmethylamino)piperidin-1-yl]phenyl]-2-methyl-2-(4-methylpyrimidin-2-yl)propanamide
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| Structure |
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| Formula |
C24H32ClN5O
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| Molecular Weight |
442.007
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| Canonical SMILES |
Cc1ccnc(n1)C(C)(C)C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1
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| InChI |
InChI=1S/C24H32ClN5O/c1-16-8-11-26-22(28-16)24(2,3)23(31)29-19-6-7-21(20(25)14-19)30-12-9-18(10-13-30)27-15-17-4-5-17/h6-8,11,14,17-18,27H,4-5,9-10,12-13,15H2,1-3H3,(H,29,31)
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| InChIKey |
RXLIQBIKVPZJRV-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