General Information of the Compound
| Compound ID |
CP0508986
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| Compound Name |
US8653100, 47
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| Structure |
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| Formula |
C25H33ClN4O3S
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| Molecular Weight |
505.084
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2CCN(C(c2c1)C1(CCC1)c1ccc(Cl)cc1)C(N)=N
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| InChI |
InChI=1S/C25H33ClN4O3S/c1-2-16-34(31,32)29-13-15-33-21-9-4-18-10-14-30(24(27)28)23(22(18)17-21)25(11-3-12-25)19-5-7-20(26)8-6-19/h4-9,17,23,29H,2-3,10-16H2,1H3,(H3,27,28)
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| InChIKey |
SPIZQDOFMLJABW-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