General Information of the Compound
| Compound ID |
CP0544612
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| Compound Name |
4-[4-[(1S,4S,5S)-2-acetyl-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 |
C32H26F3NO3
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| Molecular Weight |
529.558
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| Canonical SMILES |
CC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C32H26F3NO3/c1-18(37)36-17-25-14-27(36)16-29(25)20-2-4-21(5-3-20)30-15-24(31(38)39)13-23-12-22(8-11-28(23)30)19-6-9-26(10-7-19)32(33,34)35/h2-13,15,25,27,29H,14,16-17H2,1H3,(H,38,39)/t25-,27-,29-/m1/s1
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| InChIKey |
RRRMHZXLZVEJAR-ONDZYYNLSA-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: PT05434, P2Y purinoceptor 14
Protein ID: PT05244, P2Y purinoceptor 14