General Information of the Compound
| Compound ID |
CP0541227
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| Compound Name |
(E)-3-[4-(1-methylpyrazol-4-yl)pyridin-3-yl]-N-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H27N5O2
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| Molecular Weight |
429.524
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| Canonical SMILES |
Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2C3CCC2COC3)cc1
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| InChI |
InChI=1S/C25H27N5O2/c1-29-15-20(13-27-29)24-10-11-26-12-19(24)4-9-25(31)28-21-5-2-18(3-6-21)14-30-22-7-8-23(30)17-32-16-22/h2-6,9-13,15,22-23H,7-8,14,16-17H2,1H3,(H,28,31)/b9-4+
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| InChIKey |
MRSAAOGDVNDADH-RUDMXATFSA-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