General Information of the Compound
| Compound ID |
CP0509266
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| Compound Name |
methyl 3-[4-[5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrimidine-2-carbonyl]piperazin-1-yl]naphthalene-1-carboxylate
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| Structure |
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| Formula |
C35H32N4O4
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| Molecular Weight |
572.665
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| Canonical SMILES |
COC(=O)c1cc(cc2ccccc12)N1CCN(CC1)C(=O)c1ncc(-c2ccc(OC)cc2)c(n1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C35H32N4O4/c1-23-8-10-25(11-9-23)32-31(24-12-14-28(42-2)15-13-24)22-36-33(37-32)34(40)39-18-16-38(17-19-39)27-20-26-6-4-5-7-29(26)30(21-27)35(41)43-3/h4-15,20-22H,16-19H2,1-3H3
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| InChIKey |
PONUVWVWQZXJIX-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