General Information of the Compound
| Compound ID |
CP0574099
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| Compound Name |
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)pyridin-3-yl]-N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
O=C(Nc1ccc(CN2CC3CC2CO3)cc1)\C=C\c1cnccc1-c1cnn(c1)C1CC1
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| InChI |
InChI=1S/C26H27N5O2/c32-26(29-21-4-1-18(2-5-21)14-30-16-24-11-23(30)17-33-24)8-3-19-12-27-10-9-25(19)20-13-28-31(15-20)22-6-7-22/h1-5,8-10,12-13,15,22-24H,6-7,11,14,16-17H2,(H,29,32)/b8-3+
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| InChIKey |
HUKOPIUVSYNTMX-FPYGCLRLSA-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