General Information of the Compound
| Compound ID |
CP0528701
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| Compound Name |
4-[4-[(1S,5S)-3-benzyl-8-hydroxy-3-azabicyclo[3.2.1]octan-8-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C38H32F3NO3
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| Molecular Weight |
607.672
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| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)C2(O)[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C38H32F3NO3/c39-38(40,41)31-13-6-25(7-14-31)27-10-17-34-28(18-27)19-29(36(43)44)20-35(34)26-8-11-30(12-9-26)37(45)32-15-16-33(37)23-42(22-32)21-24-4-2-1-3-5-24/h1-14,17-20,32-33,45H,15-16,21-23H2,(H,43,44)/t32-,33-/m0/s1
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| InChIKey |
JEWWUZVPCPSEAK-LQJZCPKCSA-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