General Information of the Compound
| Compound ID |
CP0429007
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| Compound Name |
(9-pentylpyrido[3,4-b]indol-3-yl)-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C22H27N3O
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| Molecular Weight |
349.478
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| Canonical SMILES |
CCCCCn1c2ccccc2c2cc(ncc12)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C22H27N3O/c1-2-3-7-14-25-20-11-6-5-10-17(20)18-15-19(23-16-21(18)25)22(26)24-12-8-4-9-13-24/h5-6,10-11,15-16H,2-4,7-9,12-14H2,1H3
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| InChIKey |
ALRMJMSWQTWMRV-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