General Information of the Compound
| Compound ID |
CP0116427
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| Compound Name |
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-methoxy-6-propan-2-ylpyridin-2-yl)amino]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C20H29N7O2
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| Molecular Weight |
399.499
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| Canonical SMILES |
COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C
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| InChI |
InChI=1S/C20H29N7O2/c1-11(2)18-15(29-3)8-9-16(25-18)24-14-10-17(26-27-19(14)20(22)28)23-13-7-5-4-6-12(13)21/h8-13H,4-7,21H2,1-3H3,(H2,22,28)(H2,23,24,25,26)/t12-,13+/m0/s1
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| InChIKey |
QSAQGWNYEHBCEH-QWHCGFSZSA-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