General Information of the Compound
| Compound ID |
CP0427925
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| Compound Name |
(4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)((3S,4R)-1-isopropyl-4-(4-methoxyphenyl)pyrrolidin-3-yl)methanone
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| Structure |
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| Formula |
C31H43F3N4O2
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| Molecular Weight |
560.705
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)N1CCN(CC1)c1ccc(cc1[C@@H](N)CC(C)C)C(F)(F)F)C(C)C
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| InChI |
InChI=1S/C31H43F3N4O2/c1-20(2)16-28(35)25-17-23(31(32,33)34)8-11-29(25)36-12-14-37(15-13-36)30(39)27-19-38(21(3)4)18-26(27)22-6-9-24(40-5)10-7-22/h6-11,17,20-21,26-28H,12-16,18-19,35H2,1-5H3/t26-,27+,28-/m0/s1
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| InChIKey |
SZEHNEVYJPISLX-IARZGTGTSA-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