General Information of the Compound
| Compound ID |
CP0915300
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| Compound Name |
SID131409441
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| Structure |
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| Formula |
C38H42N4O6
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| Molecular Weight |
650.776
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| Canonical SMILES |
C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C38H42N4O6/c1-25-20-42(26(2)23-43)37(44)18-30-17-31(39-38(45)40-32-14-16-34-35(19-32)47-24-46-34)13-15-33(30)48-36(25)22-41(3)21-27-9-11-29(12-10-27)28-7-5-4-6-8-28/h4-17,19,25-26,36,43H,18,20-24H2,1-3H3,(H2,39,40,45)/t25-,26-,36+/m0/s1
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| InChIKey |
AIDUNWUCHWLKPO-BBUMLKAKSA-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