General Information of the Compound
| Compound ID |
CP0558718
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| Compound Name |
CHEMBL3360651
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| Formula |
C18H21N3O2
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| Molecular Weight |
311.385
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@H](CNc2nccc(n2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C18H21N3O2/c22-17(23)15-8-6-13(7-9-15)12-20-18-19-11-10-16(21-18)14-4-2-1-3-5-14/h1-5,10-11,13,15H,6-9,12H2,(H,22,23)(H,19,20,21)/t13-,15-
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| InChIKey |
CVYFFOHWQPXVCH-CTYIDZIISA-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