General Information of the Compound
| Compound ID |
CP0119006
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| Compound Name |
CHEMBL4461858
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| Formula |
C20H24N2O3
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| Molecular Weight |
340.423
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| Canonical SMILES |
COC(=O)[C@H]1CC[C@@H](CC1)[C@H](O)CC1c2ccccc2-c2cncn12
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| InChI |
InChI=1S/C20H24N2O3/c1-25-20(24)14-8-6-13(7-9-14)19(23)10-17-15-4-2-3-5-16(15)18-11-21-12-22(17)18/h2-5,11-14,17,19,23H,6-10H2,1H3/t13-,14-,17?,19-/m1/s1
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| InChIKey |
PJZVULFUQSLZMW-KJHHTXRZSA-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