General Information of the Compound
| Compound ID |
CP0308480
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| Compound Name |
4-[[(1R)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoic acid
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| Structure |
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| Formula |
C24H19F3N2O3
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| Molecular Weight |
440.421
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| Canonical SMILES |
OC(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C24H19F3N2O3/c25-24(26,27)18-9-5-16(6-10-18)21-20-4-2-1-3-15(20)13-14-29(21)23(32)28-19-11-7-17(8-12-19)22(30)31/h1-12,21H,13-14H2,(H,28,32)(H,30,31)/t21-/m1/s1
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| InChIKey |
BFZPBFBGBXUHJU-OAQYLSRUSA-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