General Information of the Compound
| Compound ID |
CP0548816
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| Compound Name |
US8772297, Y366
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| Structure |
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| Formula |
C34H43N5O7S2
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| Molecular Weight |
697.88
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C34H43N5O7S2/c1-34(2,3)46-33(41)39-18-16-26(17-19-39)25-35-47(42,43)30-10-7-11-31(24-30)48(44,45)36-28-12-14-29(15-13-28)37-20-22-38(23-21-37)32(40)27-8-5-4-6-9-27/h4-15,24,26,35-36H,16-23,25H2,1-3H3
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| InChIKey |
SKJPLNMFUPLAME-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