General Information of the Compound
| Compound ID |
CP0560561
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| Compound Name |
US8653100, 46
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| Structure |
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| Formula |
C26H32ClN5O3S
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| Molecular Weight |
530.094
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2CCN(C(c2c1)C1(CCC1)c1ccc(Cl)cc1)C(=N)NC#N
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| InChI |
InChI=1S/C26H32ClN5O3S/c1-2-16-36(33,34)31-13-15-35-22-9-4-19-10-14-32(25(29)30-18-28)24(23(19)17-22)26(11-3-12-26)20-5-7-21(27)8-6-20/h4-9,17,24,31H,2-3,10-16H2,1H3,(H2,29,30)
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| InChIKey |
IUOSBWBYPZVTEC-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