General Information of the Compound
| Compound ID |
CP0245203
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| Compound Name |
2-(4-(biphenyl-4-ylmethylamino)-6-chloropyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C29H22ClN3O2S
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| Molecular Weight |
512.034
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| Canonical SMILES |
OC(=O)C(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)c1cccc2ccccc12
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| InChI |
InChI=1S/C29H22ClN3O2S/c30-25-17-26(31-18-19-13-15-21(16-14-19)20-7-2-1-3-8-20)33-29(32-25)36-27(28(34)35)24-12-6-10-22-9-4-5-11-23(22)24/h1-17,27H,18H2,(H,34,35)(H,31,32,33)
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| InChIKey |
QFMUDXVVQZURLV-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