General Information of the Compound
| Compound ID |
CP0505069
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| Compound Name |
CHEMBL248850
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| Formula |
C25H25N3O4
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| Molecular Weight |
431.492
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| Canonical SMILES |
CCOC(=O)c1c(-c2ncc[nH]2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
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| InChI |
InChI=1S/C25H25N3O4/c1-3-31-25(29)22-21(24-26-13-14-27-24)19-12-11-18(16-20(19)23(22)28(2)30)32-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3,(H,26,27)/b28-23+
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| InChIKey |
IMIUXOYPGQWAHG-WEMUOSSPSA-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