General Information of the Compound
| Compound ID |
CP0058122
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| Compound Name |
2-(4-(9H-fluoren-2-ylamino)-6-chloropyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C29H20ClN3O2S
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| Molecular Weight |
510.018
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| Canonical SMILES |
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc-3c(Cc4ccccc-34)c2)n1)c1cccc2ccccc12
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| InChI |
InChI=1S/C29H20ClN3O2S/c30-25-16-26(31-20-12-13-23-19(15-20)14-18-7-2-4-10-22(18)23)33-29(32-25)36-27(28(34)35)24-11-5-8-17-6-1-3-9-21(17)24/h1-13,15-16,27H,14H2,(H,34,35)(H,31,32,33)
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| InChIKey |
IJYPMVFBKQEZRI-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