General Information of the Compound
| Compound ID |
CP0339507
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| Compound Name |
3-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
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| Structure |
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| Formula |
C18H19N7
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| Molecular Weight |
333.399
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| Canonical SMILES |
C(N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12)c1cncnc1
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| InChI |
InChI=1S/C18H19N7/c1-4-21-18-15(1)17-16(9-22-18)23-12-25(17)14-2-5-24(6-3-14)10-13-7-19-11-20-8-13/h1,4,7-9,11-12,14H,2-3,5-6,10H2,(H,21,22)
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| InChIKey |
YNEDMIROJZALTC-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