General Information of the Compound
| Compound ID |
CP0531886
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| Compound Name |
4-[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C33H44ClN5O4
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| Molecular Weight |
610.199
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| Canonical SMILES |
CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCC(CC2)C(O)=O)C1=O)c1ccccc1
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| InChI |
InChI=1S/C33H44ClN5O4/c1-21-19-29(34)36-23(3)30(21)31(40)35-16-13-22(2)37-17-14-27(15-18-37)39-28(24-7-5-4-6-8-24)20-38(33(39)43)26-11-9-25(10-12-26)32(41)42/h4-8,19,22,25-28H,9-18,20H2,1-3H3,(H,35,40)(H,41,42)/t22?,25?,26?,28-/m0/s1
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| InChIKey |
NYXVTYVDAASDRR-UTRCTOQHSA-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