General Information of the Compound
| Compound ID |
CP0128717
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| Compound Name |
CHEMBL1209217
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| Formula |
C19H22N4O2S
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| Molecular Weight |
370.478
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| Canonical SMILES |
O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1
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| InChI |
InChI=1S/C19H22N4O2S/c24-18(12-4-6-25-10-12)23-8-14-13(15(14)9-23)7-21-19-22-17(11-26-19)16-3-1-2-5-20-16/h1-3,5,11-15H,4,6-10H2,(H,21,22)/t12?,13-,14+,15-
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| InChIKey |
IWNSSSZVCTUKAL-KWODUOEOSA-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