General Information of the Compound
| Compound ID |
CP0565187
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| Compound Name |
CHEMBL4470646
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| Formula |
C22H33NO2
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| Molecular Weight |
343.511
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| Canonical SMILES |
COC1O[C@@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C22H33NO2/c1-23(16-17-8-4-3-5-9-17)18-12-14-22(15-13-18)20-11-7-6-10-19(20)21(24-2)25-22/h6-7,10-11,17-18,21H,3-5,8-9,12-16H2,1-2H3/t18-,21?,22+
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| InChIKey |
UPNXBNHFBWGINS-WNIJEZSTSA-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