General Information of the Compound
| Compound ID |
CP0431561
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| Compound Name |
2-(4-Phenoxy-benzylamino)-N-[3-(2-pyrrolidin-1-yl-ethyl)-3H-benzoimidazol-5-yl]-acetamide
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| Structure |
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| Formula |
C28H31N5O2
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| Molecular Weight |
469.589
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| Canonical SMILES |
O=C(CNCc1ccc(Oc2ccccc2)cc1)Nc1ccc2ncn(CCN3CCCC3)c2c1
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| InChI |
InChI=1S/C28H31N5O2/c34-28(20-29-19-22-8-11-25(12-9-22)35-24-6-2-1-3-7-24)31-23-10-13-26-27(18-23)33(21-30-26)17-16-32-14-4-5-15-32/h1-3,6-13,18,21,29H,4-5,14-17,19-20H2,(H,31,34)
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| InChIKey |
JLTVENUSZABYCQ-UHFFFAOYSA-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