General Information of the Compound
| Compound ID |
CP0515313
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| Compound Name |
BDBM50434875
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| Structure |
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| Formula |
C30H40N2O8S
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| Molecular Weight |
588.723
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| Canonical SMILES |
CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC(=O)NC(CC(O)=O)CC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1
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| InChI |
InChI=1S/C30H40N2O8S/c1-4-6-14-30(5-2)19-41(38,39)25-15-21(12-13-26(33)31-22(16-27(34)35)17-28(36)37)24(40-3)18-23(25)29(32-30)20-10-8-7-9-11-20/h7-11,15,18,22,29,32H,4-6,12-14,16-17,19H2,1-3H3,(H,31,33)(H,34,35)(H,36,37)/t29-,30-/m1/s1
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| InChIKey |
CBEGSDRGWQQNQF-LOYHVIPDSA-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