General Information of the Compound
| Compound ID |
CP0164059
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| Compound Name |
CHEMBL4558644
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| Formula |
C24H26N4O4
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| Molecular Weight |
434.496
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| Canonical SMILES |
Nc1c([nH]c(=O)[nH]c1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C24H26N4O4/c25-20-21(27-24(31)28-22(20)29)23(30)26-18-10-6-16(7-11-18)17-8-12-19(13-9-17)32-14-15-4-2-1-3-5-15/h1-5,8-9,12-13,16,18H,6-7,10-11,14,25H2,(H,26,30)(H2,27,28,29,31)/t16-,18+
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| InChIKey |
CQHWUAQKVYEULV-MAEOIBBWSA-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