General Information of the Compound
| Compound ID |
CP0846063
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| Compound Name |
N-(1-(5-chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl)-3-ethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-carboxamide hydrochloride
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| Structure |
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| Formula |
C28H36Cl2N4O2
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| Molecular Weight |
531.528
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| Canonical SMILES |
CCN1CCc2ccc(C(=O)Nc3cc(C)n(Cc4cc(Cl)ccc4OCC(C)C)n3)cc2CC1.Cl
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| InChI |
InChI=1S/C28H35ClN4O2.ClH/c1-5-32-12-10-21-6-7-23(15-22(21)11-13-32)28(34)30-27-14-20(4)33(31-27)17-24-16-25(29)8-9-26(24)35-18-19(2)3;/h6-9,14-16,19H,5,10-13,17-18H2,1-4H3,(H,30,31,34);1H
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| InChIKey |
HAYLNGRHTWPVIX-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