General Information of the Compound
| Compound ID |
CP0533048
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| Compound Name |
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-hydroxy-4-methylpentanamide
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| Structure |
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| Formula |
C24H37ClN2O4
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| Molecular Weight |
453.023
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| Canonical SMILES |
CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
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| InChI |
InChI=1S/C24H37ClN2O4/c1-16(2)20(26-19(28)11-12-23(5,6)30)21(29)27-14-13-24(31,22(3,4)15-27)17-7-9-18(25)10-8-17/h7-10,16,20,30-31H,11-15H2,1-6H3,(H,26,28)/t20-,24+/m1/s1
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| InChIKey |
FPRLELFWIAKJTK-YKSBVNFPSA-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
Protein ID: PT01070, C-C chemokine receptor type 1
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2