General Information of the Compound
| Compound ID |
CP0577930
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| Compound Name |
[3-methoxy-4-[2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C24H27N3O3
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| Molecular Weight |
405.498
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| Canonical SMILES |
COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCOCC1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C24H27N3O3/c1-29-22-14-17(24(28)27-10-2-3-11-27)4-5-19(22)18-6-9-25-23-20(18)15-21(26-23)16-7-12-30-13-8-16/h4-6,9,14-16H,2-3,7-8,10-13H2,1H3,(H,25,26)
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| InChIKey |
CMEHQENZWKFMDN-UHFFFAOYSA-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