General Information of the Compound
| Compound ID |
CP0527910
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| Compound Name |
16-(2-pyridin-4-ylethynyl)-3,5,12-triazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13(18),14,16-heptaen-4-amine
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| Structure |
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| Formula |
C22H17N5
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| Molecular Weight |
351.413
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| Canonical SMILES |
Nc1ncc2CCCc3[nH]c4ccc(cc4c3-c2n1)C#Cc1ccncc1
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| InChI |
InChI=1S/C22H17N5/c23-22-25-13-16-2-1-3-19-20(21(16)27-22)17-12-15(6-7-18(17)26-19)5-4-14-8-10-24-11-9-14/h6-13,26H,1-3H2,(H2,23,25,27)
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| InChIKey |
CMKVCNFBVVCBHG-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