General Information of the Compound
| Compound ID |
CP0636216
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| Compound Name |
N-[3-(1-ethyl-3,3,5-trimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-yloxy)propyl]-N-(2-pyridin-3-ylethyl)benzamide hydrochloride
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| Structure |
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| Formula |
C31H37ClN4O4
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| Molecular Weight |
565.114
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)C(=O)c3ccccc3)ccc21.Cl
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| InChI |
InChI=1S/C31H36N4O4.ClH/c1-5-35-26-15-14-25(21-27(26)33(4)29(37)31(2,3)30(35)38)39-20-10-18-34(19-16-23-11-9-17-32-22-23)28(36)24-12-7-6-8-13-24;/h6-9,11-15,17,21-22H,5,10,16,18-20H2,1-4H3;1H
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| InChIKey |
GCLFKWPLPHFPAN-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