General Information of the Compound
| Compound ID |
CP0525634
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| Compound Name |
CHEMBL3087509
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| Formula |
C19H23NO3
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| Molecular Weight |
313.397
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| Canonical SMILES |
COC(=O)N1[C@H]2CC[C@@H]1C[C@@](C2)(OC)C#Cc1cccc(C)c1
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| InChI |
InChI=1S/C19H23NO3/c1-14-5-4-6-15(11-14)9-10-19(23-3)12-16-7-8-17(13-19)20(16)18(21)22-2/h4-6,11,16-17H,7-8,12-13H2,1-3H3/t16-,17+,19+
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| InChIKey |
HUGBWOVWIGKBLH-DZFIZOCASA-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