General Information of the Compound
| Compound ID |
CP0122486
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| Compound Name |
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-ylpyridin-2-yl)amino]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C19H27N7O3
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| Molecular Weight |
401.471
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| Canonical SMILES |
COc1ccc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)nc1C(C)C
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| InChI |
InChI=1S/C19H27N7O3/c1-10(2)17-14(28-3)4-5-15(24-17)23-13-8-16(25-26-18(13)19(21)27)22-12-6-7-29-9-11(12)20/h4-5,8,10-12H,6-7,9,20H2,1-3H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1
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| InChIKey |
BZQIGXCSZVOECS-NWDGAFQWSA-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