General Information of the Compound
| Compound ID |
CP0578195
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| Compound Name |
CHEMBL5081538
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| Formula |
C19H22N2O3
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| Molecular Weight |
326.396
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| Canonical SMILES |
Cc1ccc(cc1)C12CC1CN(C2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2
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| InChI |
InChI=1S/C19H22N2O3/c1-12-2-4-14(5-3-12)19-8-15(19)9-21(10-19)16(22)13-6-18(7-13)11-24-17(23)20-18/h2-5,13,15H,6-11H2,1H3,(H,20,23)/t13-,15?,18+,19?
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| InChIKey |
KHFAGPLRBACJOJ-OQTYKQOSSA-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