General Information of the Compound
| Compound ID |
CP0404485
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| Compound Name |
(2-Chloro-4-piperidin-1-yl-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone
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| Structure |
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| Formula |
C22H25ClN2O
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| Molecular Weight |
368.908
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| Canonical SMILES |
Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)N1CCCCC1
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| InChI |
InChI=1S/C22H25ClN2O/c23-20-16-18(24-13-5-1-6-14-24)11-12-19(20)22(26)25-15-7-4-9-17-8-2-3-10-21(17)25/h2-3,8,10-12,16H,1,4-7,9,13-15H2
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| InChIKey |
LZJSZHFQIZDMPK-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