General Information of the Compound
| Compound ID |
CP0572113
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| Compound Name |
4-[4-[(1S,4S,5S)-3-oxo-2-azabicyclo[2.2.1]heptan-5-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C30H22F3NO3
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| Molecular Weight |
501.504
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| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)[C@H]2C[C@H]3C[C@@H]2C(=O)N3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H22F3NO3/c31-30(32,33)22-8-5-16(6-9-22)19-7-10-24-20(11-19)12-21(29(36)37)13-25(24)17-1-3-18(4-2-17)26-14-23-15-27(26)28(35)34-23/h1-13,23,26-27H,14-15H2,(H,34,35)(H,36,37)/t23-,26+,27-/m0/s1
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| InChIKey |
CMIJBZNOFVQKMV-RNJDCESWSA-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