General Information of the Compound
| Compound ID |
CP0536723
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| Compound Name |
3-Benzyl-5-phenyl-3,5-dihydro-1,3,5,6-tetraaza-cyclopenta[a]naphthalen-4-one
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| Structure |
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| Formula |
C22H16N4O
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| Molecular Weight |
352.397
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| Canonical SMILES |
O=c1n(-c2ccccc2)c2ncccc2c2ncn(Cc3ccccc3)c12
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| InChI |
InChI=1S/C22H16N4O/c27-22-20-19(24-15-25(20)14-16-8-3-1-4-9-16)18-12-7-13-23-21(18)26(22)17-10-5-2-6-11-17/h1-13,15H,14H2
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| InChIKey |
HNQGGXAGBKEMKM-UHFFFAOYSA-N
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| CAS |
139339-11-0
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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