General Information of the Compound
| Compound ID |
CP0540420
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| Compound Name |
6-chloro-N-[(3R)-3-[4-[(5R)-3-cyclohexyl-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 |
C32H44ClN5O2
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| Molecular Weight |
566.19
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| Canonical SMILES |
C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C32H44ClN5O2/c1-22-20-29(33)35-24(3)30(22)31(39)34-17-14-23(2)36-18-15-27(16-19-36)38-28(25-10-6-4-7-11-25)21-37(32(38)40)26-12-8-5-9-13-26/h4,6-7,10-11,20,23,26-28H,5,8-9,12-19,21H2,1-3H3,(H,34,39)/t23-,28+/m1/s1
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| InChIKey |
FPBBMOPREIDYGA-LXFBAYGMSA-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