General Information of the Compound
| Compound ID |
CP0635853
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| Compound Name |
1-ethyl-3,3,5-trimethyl-7-{3-[[2-(2-methyl-4-oxo-4H-furo[3,2-c]pyridin-5-yl)ethyl]-(4-methylpyridin-3-yl methyl)amino]propoxy}-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
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| Structure |
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| Formula |
C34H41N5O5
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| Molecular Weight |
599.732
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4oc(C)cc4c3=O)Cc3cnccc3C)ccc21
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| InChI |
InChI=1S/C34H41N5O5/c1-7-39-28-10-9-26(20-29(28)36(6)32(41)34(4,5)33(39)42)43-18-8-14-37(22-25-21-35-13-11-23(25)2)16-17-38-15-12-30-27(31(38)40)19-24(3)44-30/h9-13,15,19-21H,7-8,14,16-18,22H2,1-6H3
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| InChIKey |
DKGJAPVNCYKUEE-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