General Information of the Compound
| Compound ID |
CP0487728
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| Compound Name |
2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-((3R,4S)-1-(4-(methylsulfonyl)piperazine-1-carbonyl)-4-phenylpyrrolidin-3-yl)propanamide
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| Structure |
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| Formula |
C29H34F6N4O4S
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| Molecular Weight |
648.67
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| Canonical SMILES |
CN([C@H]1CN(C[C@@H]1c1ccccc1)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H34F6N4O4S/c1-27(2,20-14-21(28(30,31)32)16-22(15-20)29(33,34)35)25(40)36(3)24-18-38(17-23(24)19-8-6-5-7-9-19)26(41)37-10-12-39(13-11-37)44(4,42)43/h5-9,14-16,23-24H,10-13,17-18H2,1-4H3/t23-,24+/m1/s1
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| InChIKey |
OODKXOYCJOQMHH-RPWUZVMVSA-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