General Information of the Compound
| Compound ID |
CP0448407
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| Compound Name |
(2-Chloro-4-pyrazol-1-yl-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone
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| Structure |
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| Formula |
C20H18ClN3O
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| Molecular Weight |
351.837
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| Canonical SMILES |
Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)-n1cccn1
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| InChI |
InChI=1S/C20H18ClN3O/c21-18-14-16(24-13-5-11-22-24)9-10-17(18)20(25)23-12-4-3-7-15-6-1-2-8-19(15)23/h1-2,5-6,8-11,13-14H,3-4,7,12H2
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| InChIKey |
NHLXEUYCDHQPFM-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