General Information of the Compound
| Compound ID |
CP0400544
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| Compound Name |
CHEMBL3426059
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| Formula |
C21H26N4O3S
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| Molecular Weight |
414.531
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| Canonical SMILES |
COCCO[C@H]1CC[C@@H](CC1)Nc1nc(=O)n(C)c2ccc(cc12)-c1cncs1
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| InChI |
InChI=1S/C21H26N4O3S/c1-25-18-8-3-14(19-12-22-13-29-19)11-17(18)20(24-21(25)26)23-15-4-6-16(7-5-15)28-10-9-27-2/h3,8,11-13,15-16H,4-7,9-10H2,1-2H3,(H,23,24,26)/t15-,16-
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| InChIKey |
SOJGGKJWRAVHNW-WKILWMFISA-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