General Information of the Compound
| Compound ID |
CP0565272
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| Compound Name |
CHEMBL4749205
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| Formula |
C22H36N2O2
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| Molecular Weight |
360.542
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| Canonical SMILES |
COc1cc(CN2CCN(CC2)[C@H]2CC[C@H](CC2)C(C)(C)C)ccc1O
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| InChI |
InChI=1S/C22H36N2O2/c1-22(2,3)18-6-8-19(9-7-18)24-13-11-23(12-14-24)16-17-5-10-20(25)21(15-17)26-4/h5,10,15,18-19,25H,6-9,11-14,16H2,1-4H3/t18-,19+
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| InChIKey |
QVHBVDBXNHUCSR-KDURUIRLSA-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