General Information of the Compound
| Compound ID |
CP0562502
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| Compound Name |
CHEMBL4562511
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| Formula |
C21H29NO
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| Molecular Weight |
311.469
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| Canonical SMILES |
C(N[C@H]1CC[C@@]2(CC1)OC=Cc1ccccc21)C1CCCCC1
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| InChI |
InChI=1S/C21H29NO/c1-2-6-17(7-3-1)16-22-19-10-13-21(14-11-19)20-9-5-4-8-18(20)12-15-23-21/h4-5,8-9,12,15,17,19,22H,1-3,6-7,10-11,13-14,16H2/t19-,21-
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| InChIKey |
OJYGYOYQVVGKTL-XUTJKUGGSA-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