General Information of the Compound
| Compound ID |
CP0463156
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| Compound Name |
[2-chloro-4-(3-methylpyrrolidin-1-yl)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-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 |
CC1CCN(C1)c1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C22H25ClN2O/c1-16-11-13-24(15-16)18-9-10-19(20(23)14-18)22(26)25-12-5-4-7-17-6-2-3-8-21(17)25/h2-3,6,8-10,14,16H,4-5,7,11-13,15H2,1H3
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| InChIKey |
XYFVVVNJTQLXTL-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