General Information of the Compound
| Compound ID |
CP0516553
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| Compound Name |
4-[4-(1-propanoylpiperidin-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C32H28F3NO3
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| Molecular Weight |
531.574
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| Canonical SMILES |
CCC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C32H28F3NO3/c1-2-30(37)36-15-13-22(14-16-36)20-3-5-23(6-4-20)29-19-26(31(38)39)18-25-17-24(9-12-28(25)29)21-7-10-27(11-8-21)32(33,34)35/h3-12,17-19,22H,2,13-16H2,1H3,(H,38,39)
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| InChIKey |
DCHXCJQULXFMFS-UHFFFAOYSA-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