General Information of the Compound
| Compound ID |
CP0465093
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| Compound Name |
CHEMBL522321
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| Formula |
C27H28N2O3S
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| Molecular Weight |
460.599
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| Canonical SMILES |
CS(=O)(=O)N1C[C@]2(CC[C@@H](CC2)C(=O)Nc2ccc(cc2)-c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C27H28N2O3S/c1-33(31,32)29-19-27(24-9-5-6-10-25(24)29)17-15-22(16-18-27)26(30)28-23-13-11-21(12-14-23)20-7-3-2-4-8-20/h2-14,22H,15-19H2,1H3,(H,28,30)/t22-,27+
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| InChIKey |
TVIMSZUYSVNLTK-JAQLMMITSA-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