General Information of the Compound
| Compound ID |
CP0494978
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| Compound Name |
3-[1-[[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]amino]-2,3-dihydro-1H-inden-5-yl]benzonitrile
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| Structure |
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| Formula |
C35H36F3N3O
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| Molecular Weight |
571.687
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(ccc12)-c1cccc(c1)C#N)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C35H36F3N3O/c1-22(2)34(33(42)41-15-13-24-6-9-29(35(36,37)38)18-28(24)21-41)14-12-30(19-34)40-32-11-8-27-17-26(7-10-31(27)32)25-5-3-4-23(16-25)20-39/h3-7,9-10,16-18,22,30,32,40H,8,11-15,19,21H2,1-2H3/t30-,32?,34+/m1/s1
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| InChIKey |
JFVDXTVXVHCKNR-WWNKGUCRSA-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