General Information of the Compound
| Compound ID |
CP0460033
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| Compound Name |
US8772297, Y244
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| Structure |
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| Formula |
C29H38N4O7S2
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| Molecular Weight |
618.778
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| Canonical SMILES |
CN(C)c1ccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C)cc1-c1ccco1
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| InChI |
InChI=1S/C29H38N4O7S2/c1-29(2,3)40-28(34)33-15-13-21(14-16-33)20-30-41(35,36)23-8-6-9-24(19-23)42(37,38)31-22-11-12-26(32(4)5)25(18-22)27-10-7-17-39-27/h6-12,17-19,21,30-31H,13-16,20H2,1-5H3
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| InChIKey |
OSYXBVITALOGHM-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