General Information of the Compound
| Compound ID |
CP0723188
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| Compound Name |
SID505991
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| Structure |
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| Formula |
C33H36N4O6
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| Molecular Weight |
584.673
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| Canonical SMILES |
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NC1CCC(CC2CCC(NC(=O)/C(C#N)=C/c3ccc(O)c(O)c3)CC2)CC1
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| InChI |
InChI=1S/C33H36N4O6/c34-18-24(14-22-5-11-28(38)30(40)16-22)32(42)36-26-7-1-20(2-8-26)13-21-3-9-27(10-4-21)37-33(43)25(19-35)15-23-6-12-29(39)31(41)17-23/h5-6,11-12,14-17,20-21,26-27,38-41H,1-4,7-10,13H2,(H,36,42)(H,37,43)/b24-14+,25-15+
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| InChIKey |
VEPQEAOWDILSHB-KOJZRSEWSA-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