General Information of the Compound
| Compound ID |
CP0459162
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| Compound Name |
CHEMBL4240463
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| Formula |
C28H31N3O2S
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| Molecular Weight |
473.642
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N
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| InChI |
InChI=1S/C28H31N3O2S/c1-28(2,3)23-9-5-21(6-10-23)22-7-13-25(14-8-22)34(32,33)26-15-11-24(12-16-26)31-27-17-4-20(18-29)19-30-27/h4-10,13-14,17,19,24,26H,11-12,15-16H2,1-3H3,(H,30,31)/t24-,26-
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| InChIKey |
UJSQRECQWIGYBN-YOCNBXQISA-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