General Information of the Compound
| Compound ID |
CP0571897
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| Compound Name |
4-[4-[(1S,5S)-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 |
C31H26F3NO3
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| Molecular Weight |
517.547
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| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)C2(O)[C@H]3CC[C@H]2CNC3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H26F3NO3/c32-31(33,34)24-8-1-18(2-9-24)20-5-12-27-21(13-20)14-22(29(36)37)15-28(27)19-3-6-23(7-4-19)30(38)25-10-11-26(30)17-35-16-25/h1-9,12-15,25-26,35,38H,10-11,16-17H2,(H,36,37)/t25-,26-/m0/s1
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| InChIKey |
LFTANOHZRSNBRQ-UIOOFZCWSA-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
Protein ID: PT05244, P2Y purinoceptor 14
Protein ID: PT05434, P2Y purinoceptor 14