General Information of the Compound
| Compound ID |
CP0411381
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| Compound Name |
US9085584, 102
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| Structure |
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| Formula |
C21H21N5O
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| Molecular Weight |
359.433
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| Canonical SMILES |
Cc1ccc2nc(C)c3nnc(-c4cc(ccc4C)C4(O)CCC4)n3c2n1
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| InChI |
InChI=1S/C21H21N5O/c1-12-5-7-15(21(27)9-4-10-21)11-16(12)19-25-24-18-14(3)23-17-8-6-13(2)22-20(17)26(18)19/h5-8,11,27H,4,9-10H2,1-3H3
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| InChIKey |
ZPHARGNXMIULAZ-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: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase