General Information of the Compound
| Compound ID |
CP0535821
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| Compound Name |
CHEMBL1779994
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| Formula |
C22H27NO2
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| Molecular Weight |
337.463
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| Canonical SMILES |
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)NCc2ccccc2)O1
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| InChI |
InChI=1S/C22H27NO2/c1-24-21-15-18-9-5-6-10-20(18)22(25-21)13-11-19(12-14-22)23-16-17-7-3-2-4-8-17/h2-10,19,21,23H,11-16H2,1H3/t19-,21?,22+
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| InChIKey |
BITTYRNNBNMMOO-NDVHGFDXSA-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