General Information of the Compound
| Compound ID |
CP0561400
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| Compound Name |
17-[2-(3-methylimidazol-4-yl)ethynyl]-3,5,13-triazatetracyclo[10.7.0.02,7.014,19]nonadeca-1(12),2,4,6,14(19),15,17-heptaen-4-amine
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| Structure |
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| Formula |
C22H20N6
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| Molecular Weight |
368.444
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| Canonical SMILES |
Cn1cncc1C#Cc1ccc2[nH]c3CCCCc4cnc(N)nc4-c3c2c1
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| InChI |
InChI=1S/C22H20N6/c1-28-13-24-12-16(28)8-6-14-7-9-18-17(10-14)20-19(26-18)5-3-2-4-15-11-25-22(23)27-21(15)20/h7,9-13,26H,2-5H2,1H3,(H2,23,25,27)
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| InChIKey |
RJGQMICHNOAJAA-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