General Information of the Compound
| Compound ID |
CP0451643
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| Compound Name |
CHEMBL3426043
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| Formula |
C18H18N4O2S
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| Molecular Weight |
354.435
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
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| InChI |
InChI=1S/C18H18N4O2S/c23-18(24)11-1-4-13(5-2-11)22-17-14-7-12(16-8-19-10-25-16)3-6-15(14)20-9-21-17/h3,6-11,13H,1-2,4-5H2,(H,23,24)(H,20,21,22)/t11-,13-
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| InChIKey |
LVKIZZWITJCZAO-AULYBMBSSA-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