General Information of the Compound
| Compound ID |
CP0412493
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| Compound Name |
N-[(E)-3-(2-fluoro-4-methoxyphenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
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| Structure |
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| Formula |
C28H37FN2O5
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| Molecular Weight |
500.611
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| Canonical SMILES |
COc1ccc(\C=C(/C)CN(CCC2CCCN2C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(F)c1
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| InChI |
InChI=1S/C28H37FN2O5/c1-19(14-20-9-10-23(33-3)17-24(20)29)18-31(13-11-22-8-7-12-30(22)2)28(32)21-15-25(34-4)27(36-6)26(16-21)35-5/h9-10,14-17,22H,7-8,11-13,18H2,1-6H3/b19-14+
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| InChIKey |
BBJOIMDIAGXPEI-XMHGGMMESA-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