General Information of the Compound
| Compound ID |
CP0405958
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| Compound Name |
CHEMBL3087216
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| Formula |
C17H18ClNO3
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| Molecular Weight |
319.788
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| Canonical SMILES |
COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C17H18ClNO3/c1-22-16(20)19-14-5-6-15(19)11-17(21,10-14)8-7-12-3-2-4-13(18)9-12/h2-4,9,14-15,21H,5-6,10-11H2,1H3/t14-,15+,17+
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| InChIKey |
YFYWYQJKZHSPEE-QLPKVWCKSA-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