General Information of the Compound
| Compound ID |
CP0409832
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| Compound Name |
US9018371, 7
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| Structure |
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| Formula |
C17H18ClN5O3S
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| Molecular Weight |
407.883
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| Canonical SMILES |
COc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1SCC(O)[C@@H]1O
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| InChI |
InChI=1S/C17H18ClN5O3S/c1-26-11-5-3-2-4-9(11)6-19-14-12-15(22-17(18)21-14)23(8-20-12)16-13(25)10(24)7-27-16/h2-5,8,10,13,16,24-25H,6-7H2,1H3,(H,19,21,22)/t10?,13-,16+/m0/s1
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| InChIKey |
IXGMDIBYUXOUSR-ALWGXXCGSA-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