General Information of the Compound
| Compound ID |
CP0425069
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| Compound Name |
US9085584, 35a
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| Structure |
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| Formula |
C21H20ClN5O2
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| Molecular Weight |
409.877
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| Canonical SMILES |
C[C@H](O)COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(nc3n12)C1CC1
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| InChI |
InChI=1S/C21H20ClN5O2/c1-11(28)10-29-14-5-6-16(22)15(9-14)20-26-25-19-12(2)23-18-8-7-17(13-3-4-13)24-21(18)27(19)20/h5-9,11,13,28H,3-4,10H2,1-2H3/t11-/m0/s1
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| InChIKey |
MNFCPURQCIBMOM-NSHDSACASA-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