General Information of the Compound
| Compound ID |
CP0410399
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| Compound Name |
1-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
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| Structure |
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| Formula |
C25H32ClN3O3
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| Molecular Weight |
458.002
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| Canonical SMILES |
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
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| InChI |
InChI=1S/C25H32ClN3O3/c1-17(2)21(28-23(31)27-20-8-6-5-7-9-20)22(30)29-15-14-25(32,24(3,4)16-29)18-10-12-19(26)13-11-18/h5-13,17,21,32H,14-16H2,1-4H3,(H2,27,28,31)/t21-,25+/m1/s1
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| InChIKey |
KCOGGROHLKTVAE-BWKNWUBXSA-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