General Information of the Compound
| Compound ID |
CP0515925
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| Compound Name |
(E)-N-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-3-(4-isopropoxy-phenyl)-acrylamide
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| Structure |
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| Formula |
C28H34N4O2
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| Molecular Weight |
458.606
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(C)C)cc3)ccc2n1
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| InChI |
InChI=1S/C28H34N4O2/c1-5-31-14-16-32(17-15-31)27-18-21(4)25-19-23(9-12-26(25)30-27)29-28(33)13-8-22-6-10-24(11-7-22)34-20(2)3/h6-13,18-20H,5,14-17H2,1-4H3,(H,29,33)/b13-8+
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| InChIKey |
JPGYMRIVRVLJAK-MDWZMJQESA-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