General Information of the Compound
| Compound ID |
CP0560686
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| Compound Name |
US8653100, 45
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| Structure |
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| Formula |
C29H42ClN3O5S2
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| Molecular Weight |
612.258
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| Canonical SMILES |
CCCS(=O)(=O)NCCN(CCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1)S(=O)(=O)CCC
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| InChI |
InChI=1S/C29H42ClN3O5S2/c1-3-20-39(34,35)32-16-17-33(40(36,37)21-4-2)18-19-38-26-11-6-23-12-15-31-28(27(23)22-26)29(13-5-14-29)24-7-9-25(30)10-8-24/h6-11,22,28,31-32H,3-5,12-21H2,1-2H3
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| InChIKey |
CBVBCVXKFBVBKZ-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