General Information of the Compound
| Compound ID |
CP0475507
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| Compound Name |
US9447114, 17
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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)-c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C17H16Cl2N2O3S/c1-9-12-15(23)21(7-4-8-22)17(24)20(2)16(12)25-14(9)10-5-3-6-11(18)13(10)19/h3,5-6,22H,4,7-8H2,1-2H3
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| InChIKey |
CAROHNSINNALDD-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