General Information of the Compound
| Compound ID |
CP0373908
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| Compound Name |
5-((3aR,6aS)-5-((S)-4-((R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)octahydrocyclopenta[c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile
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| Structure |
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| Formula |
C31H38F3N5O2
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| Molecular Weight |
569.672
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| Canonical SMILES |
COC[C@H](N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H38F3N5O2/c1-19-11-26(14-35)36-21(3)29(19)30(40)38-16-23-12-27(13-24(23)17-38)37-9-10-39(20(2)15-37)28(18-41-4)22-5-7-25(8-6-22)31(32,33)34/h5-8,11,20,23-24,27-28H,9-10,12-13,15-18H2,1-4H3/t20-,23-,24+,27?,28-/m0/s1
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| InChIKey |
UIPCWPCYJAMQNJ-CVPZMFSKSA-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