General Information of the Compound
| Compound ID |
CP0917618
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| Compound Name |
N-(3-methylamino-phenyl)-2-(2-oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-pyridin-2-yl-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetamide
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| Structure |
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| Formula |
C31H28N6O3
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| Molecular Weight |
532.604
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| Canonical SMILES |
CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1
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| InChI |
InChI=1S/C31H28N6O3/c1-21-10-3-4-13-24(21)28(38)19-36-27-16-6-5-14-25(27)30(26-15-7-8-17-33-26)35-37(31(36)40)20-29(39)34-23-12-9-11-22(18-23)32-2/h3-18,32H,19-20H2,1-2H3,(H,34,39)
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| InChIKey |
QRKQBWJQWKMSFV-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