General Information of the Compound
| Compound ID |
CP0481883
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| Compound Name |
5-(3,5-dichlorobenzyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-6-carbonitrile
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| Structure |
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| Formula |
C18H13Cl2N5
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| Molecular Weight |
370.243
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| Canonical SMILES |
Clc1cc(Cl)cc(CN2Cc3cnnn3-c3ccccc3C2C#N)c1
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| InChI |
InChI=1S/C18H13Cl2N5/c19-13-5-12(6-14(20)7-13)10-24-11-15-9-22-23-25(15)17-4-2-1-3-16(17)18(24)8-21/h1-7,9,18H,10-11H2
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| InChIKey |
ZZBKABWEWZZHKK-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8