General Information of the Compound
| Compound ID |
CP0496855
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| Compound Name |
4-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-N-(2-dimethylamino-ethyl)-benzamide
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| Formula |
C20H29N5OS
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| Molecular Weight |
387.553
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| Canonical SMILES |
CN(C)CCNC(=O)c1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1
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| InChI |
InChI=1S/C20H29N5OS/c1-24(2)14-13-21-18(26)15-9-11-16(12-10-15)19-23-25(3)20(27-19)22-17-7-5-4-6-8-17/h9-12,17H,4-8,13-14H2,1-3H3,(H,21,26)/b22-20-
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| InChIKey |
SZNZUZROGZEZQD-XDOYNYLZSA-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: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A