General Information of the Compound
| Compound ID |
CP0412218
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| Compound Name |
US10138245, Example 56
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| Structure |
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| Formula |
C19H15N7
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| Molecular Weight |
341.378
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| Canonical SMILES |
Cc1cc(C)n2nc(nc2n1)-c1ccn2cc(nc2n1)-c1ccccc1
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| InChI |
InChI=1S/C19H15N7/c1-12-10-13(2)26-19(20-12)23-17(24-26)15-8-9-25-11-16(22-18(25)21-15)14-6-4-3-5-7-14/h3-11H,1-2H3
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| InChIKey |
NGJSCTGVOICSBG-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
Protein ID: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02038, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
Protein ID: PT03075, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A