General Information of the Compound
| Compound ID |
CP0473430
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| Compound Name |
CHEMBL3087508
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| Formula |
C18H21NO2
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| Molecular Weight |
283.371
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| Canonical SMILES |
COC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)C#Cc1cccc(C)c1
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| InChI |
InChI=1S/C18H21NO2/c1-13-4-3-5-14(10-13)6-7-15-11-16-8-9-17(12-15)19(16)18(20)21-2/h3-5,10,15-17H,8-9,11-12H2,1-2H3/t15-,16-,17+
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| InChIKey |
DYEYKXFSEARFGA-OSYLJGHBSA-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