General Information of the Compound
| Compound ID |
CP0487349
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| Compound Name |
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]benzamide
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| Structure |
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| Formula |
C27H29N5O3
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| Molecular Weight |
471.561
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)c1ccccc1
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| InChI |
InChI=1S/C27H29N5O3/c1-17-14-22(31-13-12-21(16-31)29-27(33)19-8-6-5-7-9-19)26-28-18(2)25(32(26)30-17)20-10-11-23(34-3)24(15-20)35-4/h5-11,14-15,21H,12-13,16H2,1-4H3,(H,29,33)/t21-/m1/s1
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| InChIKey |
MDEXPLFSJLTLJE-OAQYLSRUSA-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