General Information of the Compound
| Compound ID |
CP0191727
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| Compound Name |
CHEMBL1824243
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| Formula |
C25H40N2O2
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| Molecular Weight |
400.607
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| Canonical SMILES |
OC1CCN(CC1)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C25H40N2O2/c28-24-13-18-27(19-14-24)23-9-5-21(6-10-23)22-7-11-25(12-8-22)29-20-4-17-26-15-2-1-3-16-26/h7-8,11-12,21,23-24,28H,1-6,9-10,13-20H2/t21-,23-
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| InChIKey |
UMGZDRCZPRURFJ-AFARHQOCSA-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