General Information of the Compound
| Compound ID |
CP0404376
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| Compound Name |
(2-Chloro-4-pyrrol-1-yl-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone
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| Structure |
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| Formula |
C21H19ClN2O
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| Molecular Weight |
350.849
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| Canonical SMILES |
Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)-n1cccc1
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| InChI |
InChI=1S/C21H19ClN2O/c22-19-15-17(23-12-5-6-13-23)10-11-18(19)21(25)24-14-4-3-8-16-7-1-2-9-20(16)24/h1-2,5-7,9-13,15H,3-4,8,14H2
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| InChIKey |
IOLFIXUHODLPAE-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