General Information of the Compound
| Compound ID |
CP0441277
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| Compound Name |
3-(4-(5-(4-methoxyphenyl)-4-p-tolylpyrimidine-2-carbonyl)piperazin-1-yl)-1-naphthoic acid
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| Structure |
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| Formula |
C34H30N4O4
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| Molecular Weight |
558.638
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| Canonical SMILES |
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1
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| InChI |
InChI=1S/C34H30N4O4/c1-22-7-9-24(10-8-22)31-30(23-11-13-27(42-2)14-12-23)21-35-32(36-31)33(39)38-17-15-37(16-18-38)26-19-25-5-3-4-6-28(25)29(20-26)34(40)41/h3-14,19-21H,15-18H2,1-2H3,(H,40,41)
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| InChIKey |
JSEMFKSLBFOVOB-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