General Information of the Compound
| Compound ID |
CP0495097
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| Compound Name |
10-[2-(3-methylimidazol-4-yl)ethynyl]-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-2-amine
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| Structure |
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| Formula |
C20H16N6
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| Molecular Weight |
340.39
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| Canonical SMILES |
Cn1cncc1C#Cc1ccc2[nH]c3CCc4cnc(N)nc4-c3c2c1
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| InChI |
InChI=1S/C20H16N6/c1-26-11-22-10-14(26)5-2-12-3-6-16-15(8-12)18-17(24-16)7-4-13-9-23-20(21)25-19(13)18/h3,6,8-11,24H,4,7H2,1H3,(H2,21,23,25)
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| InChIKey |
MVGXKKGABQCPAD-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