General Information of the Compound
| Compound ID |
CP0407515
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| Compound Name |
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methylpyridin-3-yl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C33H41ClN6O2
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| Molecular Weight |
589.184
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| Canonical SMILES |
CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cnccc2C)C1=O)c1ccccc1
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| InChI |
InChI=1S/C33H41ClN6O2/c1-22-10-14-35-19-27(22)20-39-21-29(26-8-6-5-7-9-26)40(33(39)42)28-12-16-38(17-13-28)24(3)11-15-36-32(41)31-23(2)18-30(34)37-25(31)4/h5-10,14,18-19,24,28-29H,11-13,15-17,20-21H2,1-4H3,(H,36,41)/t24?,29-/m0/s1
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| InChIKey |
GLPOBUHYQIRJAI-PEFOLFAWSA-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