General Information of the Compound
| Compound ID |
CP0535466
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| Compound Name |
4-[4-[(1R,2S,4S)-2-amino-4-(hydroxymethyl)cyclopentyl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C30H26F3NO3
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| Molecular Weight |
505.536
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| Canonical SMILES |
N[C@H]1C[C@@H](CO)C[C@@H]1c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C30H26F3NO3/c31-30(32,33)24-8-5-18(6-9-24)21-7-10-25-22(13-21)14-23(29(36)37)15-26(25)19-1-3-20(4-2-19)27-11-17(16-35)12-28(27)34/h1-10,13-15,17,27-28,35H,11-12,16,34H2,(H,36,37)/t17-,27+,28-/m0/s1
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| InChIKey |
FMIILTHLNJXYGX-ROXWKXMQSA-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