General Information of the Compound
| Compound ID |
CP0536687
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| Compound Name |
CHEMBL3361180
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2)-c2ccco2)CC1
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| InChI |
InChI=1S/C22H23N3O3/c26-21(27)17-10-8-15(9-11-17)14-23-22-24-18(16-5-2-1-3-6-16)13-19(25-22)20-7-4-12-28-20/h1-7,12-13,15,17H,8-11,14H2,(H,26,27)(H,23,24,25)/t15-,17-
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| InChIKey |
OCKOIJVAHMEKGM-JCNLHEQBSA-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