General Information of the Compound
| Compound ID |
CP0574967
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| Compound Name |
1-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-3-propan-2-ylurea
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| Structure |
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| Formula |
C24H32N6O3
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| Molecular Weight |
452.559
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)NC(C)C
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| InChI |
InChI=1S/C24H32N6O3/c1-14(2)25-24(31)27-18-9-10-29(13-18)19-11-15(3)28-30-22(16(4)26-23(19)30)17-7-8-20(32-5)21(12-17)33-6/h7-8,11-12,14,18H,9-10,13H2,1-6H3,(H2,25,27,31)/t18-/m1/s1
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| InChIKey |
AQLVPZIASAVNOI-GOSISDBHSA-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