General Information of the Compound
| Compound ID |
CP0545395
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| Compound Name |
17-(2-pyridin-4-ylethynyl)-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 |
C23H19N5
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| Molecular Weight |
365.44
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| Canonical SMILES |
Nc1ncc2CCCCc3[nH]c4ccc(cc4c3-c2n1)C#Cc1ccncc1
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| InChI |
InChI=1S/C23H19N5/c24-23-26-14-17-3-1-2-4-20-21(22(17)28-23)18-13-16(7-8-19(18)27-20)6-5-15-9-11-25-12-10-15/h7-14,27H,1-4H2,(H2,24,26,28)
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| InChIKey |
INFDJALQBVLUOK-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