General Information of the Compound
| Compound ID |
CP0634680
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| Compound Name |
1-ethyl-3,3,5-trimethyl-7-(3-{[2-(2-oxo-2H-quinolin-1-yl)ethyl]pyridin-4-ylmethylamino}propoxy)-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
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| Structure |
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| Formula |
C34H39N5O4
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| Molecular Weight |
581.717
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3c(=O)ccc4ccccc43)Cc3ccncc3)ccc21
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| InChI |
InChI=1S/C34H39N5O4/c1-5-38-29-13-12-27(23-30(29)36(4)32(41)34(2,3)33(38)42)43-22-8-19-37(24-25-15-17-35-18-16-25)20-21-39-28-10-7-6-9-26(28)11-14-31(39)40/h6-7,9-18,23H,5,8,19-22,24H2,1-4H3
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| InChIKey |
WOOQITHNVSFGKK-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