General Information of the Compound
| Compound ID |
CP0492517
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| Compound Name |
US8653100, 84
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| Structure |
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| Formula |
C30H42ClN3O5S2
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| Molecular Weight |
624.269
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)c1cc2CCN(C(c2cc1OC)C1(CCC1)c1ccc(Cl)cc1)S(=O)(=O)CCC
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| InChI |
InChI=1S/C30H42ClN3O5S2/c1-4-19-40(35,36)33-17-15-32(16-18-33)27-21-23-11-14-34(41(37,38)20-5-2)29(26(23)22-28(27)39-3)30(12-6-13-30)24-7-9-25(31)10-8-24/h7-10,21-22,29H,4-6,11-20H2,1-3H3
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| InChIKey |
RJXSBXRBUSIOSP-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