General Information of the Compound
| Compound ID |
CP0554293
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| Compound Name |
(2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide
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| Structure |
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| Formula |
C29H33N5O4
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| Molecular Weight |
515.614
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| Canonical SMILES |
CO[C@H](C(=O)N[C@@H]1CCN(C1)c1cc(C)nn2c(c(C)nc12)-c1ccc(OC)c(OC)c1)c1ccccc1
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| InChI |
InChI=1S/C29H33N5O4/c1-18-15-23(33-14-13-22(17-33)31-29(35)27(38-5)20-9-7-6-8-10-20)28-30-19(2)26(34(28)32-18)21-11-12-24(36-3)25(16-21)37-4/h6-12,15-16,22,27H,13-14,17H2,1-5H3,(H,31,35)/t22-,27+/m1/s1
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| InChIKey |
HKJCAIVGNXQKDP-AMGIVPHBSA-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