General Information of the Compound
| Compound ID |
CP0561715
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| Compound Name |
N-(2,3-dihydro-1H-inden-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
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| Structure |
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| Formula |
C20H20N4O2
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| Molecular Weight |
348.406
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| Canonical SMILES |
O=C(CCCn1nnc2ccccc2c1=O)NC1Cc2ccccc2C1
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| InChI |
InChI=1S/C20H20N4O2/c25-19(21-16-12-14-6-1-2-7-15(14)13-16)10-5-11-24-20(26)17-8-3-4-9-18(17)22-23-24/h1-4,6-9,16H,5,10-13H2,(H,21,25)
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| InChIKey |
YREDKHBDWDAYOE-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