General Information of the Compound
| Compound ID |
CP0109250
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| Compound Name |
(2S,8R)-6-methyl-2-(5-methylthiophen-2-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
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| Structure |
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| Formula |
C20H19N3O2S
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| Molecular Weight |
365.458
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| Canonical SMILES |
CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C)s2)C1=O
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| InChI |
InChI=1S/C20H19N3O2S/c1-11-7-8-16(26-11)19-18-13(12-5-3-4-6-14(12)21-18)9-15-20(25)22(2)10-17(24)23(15)19/h3-8,15,19,21H,9-10H2,1-2H3/t15-,19-/m1/s1
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| InChIKey |
LFVBPBWMEWDRAV-DNVCBOLYSA-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: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase
Protein ID: PT01730, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
Protein ID: PT01176, cGMP-specific 3',5'-cyclic phosphodiesterase
Protein ID: PT03334, Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
Protein ID: PT02504, Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
Protein ID: PT01726, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A