General Information of the Compound
| Compound ID |
CP0537656
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| Compound Name |
CHEMBL3361225
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| Formula |
C27H29N5OS
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| Molecular Weight |
471.63
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| Canonical SMILES |
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2csc3ccccc23)CC1
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| InChI |
InChI=1S/C27H29N5OS/c28-26(33)20-12-10-19(11-13-20)16-30-27-31-23(22-17-34-24-9-5-4-8-21(22)24)14-25(32-27)29-15-18-6-2-1-3-7-18/h1-9,14,17,19-20H,10-13,15-16H2,(H2,28,33)(H2,29,30,31,32)/t19-,20-
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| InChIKey |
PUERLUHEKCOMSQ-MXVIHJGJSA-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