General Information of the Compound
| Compound ID |
CP0414455
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| Compound Name |
4-[4-(1-hex-5-ynylpiperidin-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C35H32F3NO2
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| Molecular Weight |
555.64
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| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)C2CCN(CCCCC#C)CC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C35H32F3NO2/c1-2-3-4-5-18-39-19-16-26(17-20-39)24-6-8-27(9-7-24)33-23-30(34(40)41)22-29-21-28(12-15-32(29)33)25-10-13-31(14-11-25)35(36,37)38/h1,6-15,21-23,26H,3-5,16-20H2,(H,40,41)
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| InChIKey |
XNUCWDPJVQRZKC-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: PT05434, P2Y purinoceptor 14
Protein ID: PT05244, P2Y purinoceptor 14