General Information of the Compound
| Compound ID |
CP0516346
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| Compound Name |
US9469631, 97
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| Structure |
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| Formula |
C30H41N3O5S
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| Molecular Weight |
555.741
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C30H41N3O5S/c1-29(2,3)31-39(36,37)26-10-8-7-9-25(26)21-11-13-22(14-12-21)27(34)33(23-15-16-23)24-17-19-32(20-18-24)28(35)38-30(4,5)6/h7-14,23-24,31H,15-20H2,1-6H3
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| InChIKey |
VPUOUUJPQZSTEC-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