General Information of the Compound
| Compound ID |
CP0551317
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| Compound Name |
US8772297, Y260
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| Structure |
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| Formula |
C32H47N5O8S2
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| Molecular Weight |
693.889
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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)OC(C)(C)C)CC1
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| InChI |
InChI=1S/C32H47N5O8S2/c1-31(2,3)44-29(38)36-16-14-24(15-17-36)23-33-46(40,41)27-8-7-9-28(22-27)47(42,43)34-25-10-12-26(13-11-25)35-18-20-37(21-19-35)30(39)45-32(4,5)6/h7-13,22,24,33-34H,14-21,23H2,1-6H3
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| InChIKey |
AKCQQLSPZGYWSN-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