General Information of the Compound
| Compound ID |
CP0240937
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| Compound Name |
2-(4-chloro-6-(4'-cyanobiphenyl-4-ylamino)pyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C29H19ClN4O2S
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| Molecular Weight |
523.017
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| Canonical SMILES |
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)c1cccc2ccccc12
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| InChI |
InChI=1S/C29H19ClN4O2S/c30-25-16-26(32-22-14-12-20(13-15-22)19-10-8-18(17-31)9-11-19)34-29(33-25)37-27(28(35)36)24-7-3-5-21-4-1-2-6-23(21)24/h1-16,27H,(H,35,36)(H,32,33,34)
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| InChIKey |
ROSPVHMBKTUANF-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