General Information of the Compound
| Compound ID |
CP0442992
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| Compound Name |
US8916594, I-081
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| Formula |
C16H21ClN4O3S
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| Molecular Weight |
384.889
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| Canonical SMILES |
CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C16H21ClN4O3S/c1-25(22,23)18-10-11-5-7-14(8-6-11)19-16-20-15(21-24-16)12-3-2-4-13(17)9-12/h2-4,9,11,14,18H,5-8,10H2,1H3,(H,19,20,21)/t11-,14-
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| InChIKey |
GNVYVNIHYWYJOU-YEORSEQZSA-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