General Information of the Compound
| Compound ID |
CP0379631
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| Compound Name |
6-chloro-N-[3-[4-[(5R)-3-cyclopentyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
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| Structure |
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| Formula |
C31H42ClN5O2
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| Molecular Weight |
552.163
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| Canonical SMILES |
CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCC2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C31H42ClN5O2/c1-21-19-28(32)34-23(3)29(21)30(38)33-16-13-22(2)35-17-14-26(15-18-35)37-27(24-9-5-4-6-10-24)20-36(31(37)39)25-11-7-8-12-25/h4-6,9-10,19,22,25-27H,7-8,11-18,20H2,1-3H3,(H,33,38)/t22?,27-/m0/s1
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| InChIKey |
DGHNQLRVFQCZFN-ZUILJJEPSA-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