General Information of the Compound
| Compound ID |
CP0579016
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| Compound Name |
CHEMBL5094531
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| Formula |
C20H24N2O3
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| Molecular Weight |
340.423
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| Canonical SMILES |
Cc1ccccc1C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2
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| InChI |
InChI=1S/C20H24N2O3/c1-13-4-2-3-5-16(13)20-6-7-22(11-15(20)10-20)17(23)14-8-19(9-14)12-25-18(24)21-19/h2-5,14-15H,6-12H2,1H3,(H,21,24)/t14-,15?,19+,20?
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| InChIKey |
ZQNLEFJOCYNLRW-BSMYPESPSA-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