General Information of the Compound
| Compound ID |
CP0450884
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| Compound Name |
N-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
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| Structure |
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| Formula |
C18H16N8S
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| Molecular Weight |
376.449
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| Canonical SMILES |
C[C@H](c1nnc2sc(Nc3cnn(C)c3)nn12)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C18H16N8S/c1-11(12-5-6-15-13(8-12)4-3-7-19-15)16-22-23-18-26(16)24-17(27-18)21-14-9-20-25(2)10-14/h3-11H,1-2H3,(H,21,24)/t11-/m0/s1
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| InChIKey |
ONRZEVZCRXEKBO-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: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Protein ID: PT01201, Hepatocyte growth factor receptor