General Information of the Compound
| Compound ID |
CP0413444
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| Compound Name |
US9181219, 20
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| Structure |
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| Formula |
C17H17ClN2OS
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| Molecular Weight |
332.856
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| Canonical SMILES |
Cc1cccc2CCCN(C(=O)CSc3ncccc3Cl)c12
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| InChI |
InChI=1S/C17H17ClN2OS/c1-12-5-2-6-13-7-4-10-20(16(12)13)15(21)11-22-17-14(18)8-3-9-19-17/h2-3,5-6,8-9H,4,7,10-11H2,1H3
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| InChIKey |
OFWFWXOQRODVCI-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