General Information of the Compound
| Compound ID |
CP0569449
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| Compound Name |
CHEMBL4644039
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| Formula |
C18H25NO
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| Molecular Weight |
271.404
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| Canonical SMILES |
C\C(=C/c1ccccc1)[C@@H]1C[C@H]1N[C@H]1CC[C@H](O)CC1
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| InChI |
InChI=1S/C18H25NO/c1-13(11-14-5-3-2-4-6-14)17-12-18(17)19-15-7-9-16(20)10-8-15/h2-6,11,15-20H,7-10,12H2,1H3/b13-11+/t15-,16-,17-,18+/m0/s1
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| InChIKey |
USWQJAGASRULPG-YPPMKIEUSA-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