General Information of the Compound
| Compound ID |
CP0957884
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| Compound Name |
(3R,4S)-N-(3-cyclopropyl-5-(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-3-((4-fluoropiperidin-1-yl)methyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C30H35F4N3O2
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| Molecular Weight |
545.621
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN2CCC(F)CC2)(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)[C@H](C)C1=O
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| InChI |
InChI=1S/C30H35F4N3O2/c1-18-5-4-6-19(2)26(18)37-17-29(20(3)27(37)38,16-36-11-9-24(31)10-12-36)28(39)35-25-14-22(21-7-8-21)13-23(15-25)30(32,33)34/h4-6,13-15,20-21,24H,7-12,16-17H2,1-3H3,(H,35,39)/t20-,29-/m1/s1
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| InChIKey |
YGGSIARERPPCFO-ACSYHNTCSA-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