General Information of the Compound
| Compound ID |
CP0270160
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| Compound Name |
3-[3-Carbamoyl-5-(4-pyridin-2-yl-piperazin-1-ylmethyl)-phenyl]-acrylic acid ethyl ester
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| Structure |
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| Formula |
C22H26N4O3
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| Molecular Weight |
394.475
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| Canonical SMILES |
CCOC(=O)\C=C\c1cc(CN2CCN(CC2)c2ccccn2)cc(c1)C(N)=O
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| InChI |
InChI=1S/C22H26N4O3/c1-2-29-21(27)7-6-17-13-18(15-19(14-17)22(23)28)16-25-9-11-26(12-10-25)20-5-3-4-8-24-20/h3-8,13-15H,2,9-12,16H2,1H3,(H2,23,28)/b7-6+
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| InChIKey |
GKPVTQTVQVPDLH-VOTSOKGWSA-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