General Information of the Compound
| Compound ID |
CP0007446
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| Compound Name |
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)pyridin-3-yl]prop-2-enamide
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| Structure |
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| Formula |
C22H22N4O2S
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| Molecular Weight |
406.511
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| Canonical SMILES |
O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cncs1
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| InChI |
InChI=1S/C22H22N4O2S/c27-22(6-3-18-13-23-8-7-20(18)21-14-24-16-29-21)25-19-4-1-17(2-5-19)15-26-9-11-28-12-10-26/h1-8,13-14,16H,9-12,15H2,(H,25,27)/b6-3+
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| InChIKey |
RRUNJKSXHDYIGD-ZZXKWVIFSA-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