General Information of the Compound
| Compound ID |
CP0636608
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| Compound Name |
1,3,3,5-tetramethyl-7-{3-[(2-methylbenzyl)-(2-pyridin-3-ylethyl)amino]propoxy}-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione dihydrochloride
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| Structure |
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| Formula |
C31H40Cl2N4O3
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| Molecular Weight |
587.592
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| Canonical SMILES |
Cc1ccccc1CN(CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2C)CCc1cccnc1.Cl.Cl
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| InChI |
InChI=1S/C31H38N4O3.2ClH/c1-23-10-6-7-12-25(23)22-35(18-15-24-11-8-16-32-21-24)17-9-19-38-26-13-14-27-28(20-26)34(5)30(37)31(2,3)29(36)33(27)4;;/h6-8,10-14,16,20-21H,9,15,17-19,22H2,1-5H3;2*1H
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| InChIKey |
HKJKUNDSZREHRQ-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