General Information of the Compound
| Compound ID |
CP0539171
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| Compound Name |
3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
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| Structure |
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| Formula |
C28H29N7O2
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| Molecular Weight |
495.587
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)n1cc(nn1)-c1ccccc1
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| InChI |
InChI=1S/C28H29N7O2/c1-18-14-24(33-13-12-22(16-33)34-17-23(30-32-34)20-8-6-5-7-9-20)28-29-19(2)27(35(28)31-18)21-10-11-25(36-3)26(15-21)37-4/h5-11,14-15,17,22H,12-13,16H2,1-4H3/t22-/m1/s1
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| InChIKey |
KAMWZROKUBNTKY-JOCHJYFZSA-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