General Information of the Compound
| Compound ID |
CP0164472
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| Compound Name |
(10S,15R)-13-ethyl-10-(5-ethylthiophen-2-yl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
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| Structure |
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| Formula |
C21H21N3O2S
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| Molecular Weight |
379.485
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| Canonical SMILES |
CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N2C1=O)c1ccc(CC)s1
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| InChI |
InChI=1S/C21H21N3O2S/c1-3-12-9-10-17(27-12)19-18-14(13-7-5-6-8-15(13)22-18)11-16-20(25)23(4-2)21(26)24(16)19/h5-10,16,19,22H,3-4,11H2,1-2H3/t16-,19-/m1/s1
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| InChIKey |
PYRZRKTWNHDCON-VQIMIIECSA-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