General Information of the Compound
| Compound ID |
CP0566094
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| Compound Name |
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H26FN5O2
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| Molecular Weight |
447.514
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| Canonical SMILES |
Fc1cncc(\C=C\C(=O)Nc2ccc(CN3CCOCC3)cc2)c1-c1cnn(c1)C1CC1
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| InChI |
InChI=1S/C25H26FN5O2/c26-23-15-27-13-19(25(23)20-14-28-31(17-20)22-6-7-22)3-8-24(32)29-21-4-1-18(2-5-21)16-30-9-11-33-12-10-30/h1-5,8,13-15,17,22H,6-7,9-12,16H2,(H,29,32)/b8-3+
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| InChIKey |
SPFRZBQLMQBEJM-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