General Information of the Compound
| Compound ID |
CP0395933
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| Compound Name |
CHEMBL3622355
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| Formula |
C30H34N4O5S
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| Molecular Weight |
562.692
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| Canonical SMILES |
COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)OC(=O)Nc1ccc(cc1)N(C)C)c1ccccc1)=NS2(=O)=O
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| InChI |
InChI=1S/C30H34N4O5S/c1-34(2)23-14-12-22(13-15-23)32-29(35)39-24-16-18-30(19-17-24,21-8-5-4-6-9-21)20-31-28-27-25(38-3)10-7-11-26(27)40(36,37)33-28/h4-15,24H,16-20H2,1-3H3,(H,31,33)(H,32,35)/t24-,30-
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| InChIKey |
KUEIYBKAAMYFKI-IQBDUEADSA-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