General Information of the Compound
| Compound ID |
CP0395775
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| Compound Name |
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C29H40ClN5O2
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| Molecular Weight |
526.125
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| Canonical SMILES |
CC(C)N1C[C@H](N(C2CCN(CC2)C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)C1=O)c1ccccc1
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| InChI |
InChI=1S/C29H40ClN5O2/c1-19(2)34-18-25(23-9-7-6-8-10-23)35(29(34)37)24-12-15-33(16-13-24)21(4)11-14-31-28(36)27-20(3)17-26(30)32-22(27)5/h6-10,17,19,21,24-25H,11-16,18H2,1-5H3,(H,31,36)/t21?,25-/m0/s1
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| InChIKey |
LTECMHSUEOHWDT-QBGQUKIHSA-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