General Information of the Compound
| Compound ID |
CP0494684
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| Compound Name |
[4-[2-[7-(2-methylbenzimidazol-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C35H40N4O2
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| Molecular Weight |
548.731
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| Canonical SMILES |
Cc1nc2ccccc2n1C1CC2COCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C35H40N4O2/c1-26-36-32-14-8-9-15-33(32)39(26)29-22-30-24-41-25-31(23-29)38(30)21-18-35(28-12-6-3-7-13-28)16-19-37(20-17-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3
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| InChIKey |
YQHDCGHQUINOSM-UHFFFAOYSA-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