General Information of the Compound
| Compound ID |
CP0412816
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| Compound Name |
1-[[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile
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| Structure |
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| Formula |
C29H32F3N3O
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| Molecular Weight |
495.589
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2C#N)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C29H32F3N3O/c1-18(2)28(27(36)35-13-11-19-6-7-22(29(30,31)32)14-21(19)17-35)12-10-23(15-28)34-26-9-8-24-20(16-33)4-3-5-25(24)26/h3-7,14,18,23,26,34H,8-13,15,17H2,1-2H3/t23-,26?,28+/m1/s1
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| InChIKey |
AXHRCHHCHLDMOV-ZRNCVZAUSA-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