General Information of the Compound
| Compound ID |
CP0409023
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| Compound Name |
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C32H39ClN6O2
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| Molecular Weight |
575.157
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| Canonical SMILES |
CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cccnc2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C32H39ClN6O2/c1-22-18-29(33)36-24(3)30(22)31(40)35-15-11-23(2)37-16-12-27(13-17-37)39-28(26-9-5-4-6-10-26)21-38(32(39)41)20-25-8-7-14-34-19-25/h4-10,14,18-19,23,27-28H,11-13,15-17,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1
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| InChIKey |
BLLNKFHFWKLHQV-WOKNPCPGSA-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