General Information of the Compound
| Compound ID |
CP0539776
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| Compound Name |
(3-methylphenyl) N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]carbamate
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| Structure |
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| Formula |
C28H31N5O4
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| Molecular Weight |
501.587
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)Oc1cccc(C)c1
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| InChI |
InChI=1S/C28H31N5O4/c1-17-7-6-8-22(13-17)37-28(34)30-21-11-12-32(16-21)23-14-18(2)31-33-26(19(3)29-27(23)33)20-9-10-24(35-4)25(15-20)36-5/h6-10,13-15,21H,11-12,16H2,1-5H3,(H,30,34)/t21-/m1/s1
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| InChIKey |
GZVRZYXGUFATOX-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