General Information of the Compound
| Compound ID |
CP0436536
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| Compound Name |
(R)-4-(6-Chloro-5-methyl-pyridazin-3-yl)-2-methyl-piperazine-1-carboxylic acid (6-fluoro-benzothiazol-2-yl)-amide
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| Structure |
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| Formula |
C18H18ClFN6OS
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| Molecular Weight |
420.901
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Nc1nc2ccc(F)cc2s1)c1cc(C)c(Cl)nn1
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| InChI |
InChI=1S/C18H18ClFN6OS/c1-10-7-15(23-24-16(10)19)25-5-6-26(11(2)9-25)18(27)22-17-21-13-4-3-12(20)8-14(13)28-17/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,21,22,27)/t11-/m1/s1
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| InChIKey |
BRPLIJUCKDGXNQ-LLVKDONJSA-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