General Information of the Compound
| Compound ID |
CP0639433
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| Compound Name |
7-(3-{(2,6-dimethylpyridin-3-ylmethyl)-[2-(4-oxo-4H-furo[3,2-c]pyridin-5-yl)ethyl]amino}propoxy)-1-ethyl-3,3,5-trimethyl-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione dihydrochloride
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| Structure |
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| Formula |
C34H43Cl2N5O5
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| Molecular Weight |
672.654
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3ccc(C)nc3C)ccc21.Cl.Cl
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| InChI |
InChI=1S/C34H41N5O5.2ClH/c1-7-39-28-12-11-26(21-29(28)36(6)32(41)34(4,5)33(39)42)43-19-8-15-37(22-25-10-9-23(2)35-24(25)3)17-18-38-16-13-30-27(31(38)40)14-20-44-30;;/h9-14,16,20-21H,7-8,15,17-19,22H2,1-6H3;2*1H
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| InChIKey |
JYARMIMOJHILNZ-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