General Information of the Compound
| Compound ID |
CP0915572
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| Compound Name |
2-(1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-pyridin-2-yl-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-methylamino-phenyl)-acetamide
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| Structure |
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| Formula |
C28H30N6O3
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| Molecular Weight |
498.587
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| Canonical SMILES |
CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
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| InChI |
InChI=1S/C28H30N6O3/c1-28(2,3)24(35)17-33-23-14-6-5-12-21(23)26(22-13-7-8-15-30-22)32-34(27(33)37)18-25(36)31-20-11-9-10-19(16-20)29-4/h5-16,29H,17-18H2,1-4H3,(H,31,36)
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| InChIKey |
FXWMVEMJYSQJEZ-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