General Information of the Compound
| Compound ID |
CP0006942
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| Compound Name |
(E)-3-[4-(1-methylpyrazol-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 |
C24H25N5O2
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| Molecular Weight |
415.497
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| Canonical SMILES |
Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CC3CC2CO3)cc1
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| InChI |
InChI=1S/C24H25N5O2/c1-28-14-19(12-26-28)23-8-9-25-11-18(23)4-7-24(30)27-20-5-2-17(3-6-20)13-29-15-22-10-21(29)16-31-22/h2-9,11-12,14,21-22H,10,13,15-16H2,1H3,(H,27,30)/b7-4+
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| InChIKey |
ZZZRHFQPNAABMT-QPJJXVBHSA-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