General Information of the Compound
| Compound ID |
CP0426914
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| Compound Name |
US9447114, 5
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| Structure |
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| Formula |
C17H16Cl2N2O3S
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| Molecular Weight |
399.299
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| Canonical SMILES |
Cc1c(sc2n(C)c(=O)n(CCCO)c(=O)c12)-c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H16Cl2N2O3S/c1-9-13-15(23)21(6-3-7-22)17(24)20(2)16(13)25-14(9)10-4-5-11(18)12(19)8-10/h4-5,8,22H,3,6-7H2,1-2H3
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| InChIKey |
PVXJWOKFAQOLTD-UHFFFAOYSA-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