General Information of the Compound
| Compound ID |
CP0065181
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| Compound Name |
3-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5Hdibenzo[b,e][1,4]diazepin-8-yl]-N-(4-morpholin-4-ylphenyl)propanamide
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| Structure |
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| Formula |
C33H33N5O4
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| Molecular Weight |
563.658
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| Canonical SMILES |
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CCC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
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| InChI |
InChI=1S/C33H33N5O4/c1-41-31-20-23(5-11-27(31)34)22-4-10-26-29(19-22)36-28-12-2-21(18-30(28)37-33(26)40)3-13-32(39)35-24-6-8-25(9-7-24)38-14-16-42-17-15-38/h2,4-12,18-20,36H,3,13-17,34H2,1H3,(H,35,39)(H,37,40)
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| InChIKey |
PGZHCVLSYNCIRY-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