General Information of the Compound
| Compound ID |
CP0921706
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| Compound Name |
N-(3,5-bis(trifluoromethyl)phenyl)-2-(2,6-dimethylphenyl)-1-oxo-5-(pyrrolidin-1-yl)octahydrocyclopenta[c]pyrrole-3a-carboxamide
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| Structure |
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| Formula |
C28H29F6N3O2
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| Molecular Weight |
553.547
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| Canonical SMILES |
Cc1cccc(C)c1N1CC2(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC(N3CCCC3)CC2C1=O
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| InChI |
InChI=1S/C28H29F6N3O2/c1-16-6-5-7-17(2)23(16)37-15-26(14-21(13-22(26)24(37)38)36-8-3-4-9-36)25(39)35-20-11-18(27(29,30)31)10-19(12-20)28(32,33)34/h5-7,10-12,21-22H,3-4,8-9,13-15H2,1-2H3,(H,35,39)
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| InChIKey |
DMXRVNIKHPDWEZ-UHFFFAOYSA-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