General Information of the Compound
| Compound ID |
CP0219640
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| Compound Name |
CHEMBL4796417
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| Formula |
C19H21N3O3
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| Molecular Weight |
339.395
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| Canonical SMILES |
CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2ccccc2C1=O
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| InChI |
InChI=1S/C19H21N3O3/c1-22-15-11-20-18(21-12-6-8-13(23)9-7-12)10-17(15)25-16-5-3-2-4-14(16)19(22)24/h2-5,10-13,23H,6-9H2,1H3,(H,20,21)/t12-,13-
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| InChIKey |
YOSFKTZILAAWFE-JOCQHMNTSA-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