General Information of the Compound
| Compound ID |
CP0570466
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| Compound Name |
US8653100, 123
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| Structure |
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| Formula |
C31H42ClN3O5S
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| Molecular Weight |
604.213
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)CCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H42ClN3O5S/c1-30(2,3)40-29(36)34-16-18-35(19-17-34)41(37,38)21-5-20-39-26-11-6-23-12-15-33-28(27(23)22-26)31(13-4-14-31)24-7-9-25(32)10-8-24/h6-11,22,28,33H,4-5,12-21H2,1-3H3
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| InChIKey |
PAHDMNWZEBXEGD-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