General Information of the Compound
| Compound ID |
CP0006943
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| Compound Name |
(E)-3-[4-(1-benzylpyrazol-4-yl)pyridin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C29H29N5O2
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| Molecular Weight |
479.584
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| Canonical SMILES |
O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnn(Cc2ccccc2)c1
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| InChI |
InChI=1S/C29H29N5O2/c35-29(32-27-9-6-24(7-10-27)20-33-14-16-36-17-15-33)11-8-25-18-30-13-12-28(25)26-19-31-34(22-26)21-23-4-2-1-3-5-23/h1-13,18-19,22H,14-17,20-21H2,(H,32,35)/b11-8+
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| InChIKey |
YSULJPQXWIYNMJ-DHZHZOJOSA-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