General Information of the Compound
| Compound ID |
CP0494488
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| Compound Name |
CHEMBL1818186
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| Formula |
C28H35N3O4S
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| Molecular Weight |
509.672
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| Canonical SMILES |
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2cc(nc3ccccc23)-c2ccccc2)CC1
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| InChI |
InChI=1S/C28H35N3O4S/c1-28(2,3)35-27(32)29-18-20-13-15-21(16-14-20)19-30-36(33,34)26-17-25(22-9-5-4-6-10-22)31-24-12-8-7-11-23(24)26/h4-12,17,20-21,30H,13-16,18-19H2,1-3H3,(H,29,32)/t20-,21-
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| InChIKey |
LQRNCHNHHXKEOH-MEMLXQNLSA-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