General Information of the Compound
| Compound ID |
CP0488798
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| Compound Name |
3-((6-(2-(isopropyl(phenyl)amino)-2-oxoethyl)-5-oxo-1-phenyl-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepin-4-ylamino)benzoic acid
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| Structure |
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| Formula |
C34H30N6O4
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| Molecular Weight |
586.652
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| Canonical SMILES |
CC(C)N(C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Nc2cccc(c2)C(O)=O)C1=O)c1ccccc1
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| InChI |
InChI=1S/C34H30N6O4/c1-22(2)39(26-16-7-4-8-17-26)29(41)21-38-27-18-9-10-19-28(27)40-31(23-12-5-3-6-13-23)36-37-32(40)30(33(38)42)35-25-15-11-14-24(20-25)34(43)44/h3-20,22,30,35H,21H2,1-2H3,(H,43,44)
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| InChIKey |
NDYDWAHMAKSSPE-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