General Information of the Compound
| Compound ID |
CP0484216
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| Compound Name |
4'-[5-(4-pyrrolidin-1-ylmethyl-phenylamino)-1H-pyrazol-3-yl]-biphenyl-2,4-diol
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| Structure |
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| Formula |
C26H26N4O2
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| Molecular Weight |
426.52
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| Canonical SMILES |
Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CN3CCCC3)cc2)[nH]n1
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| InChI |
InChI=1S/C26H26N4O2/c31-22-11-12-23(25(32)15-22)19-5-7-20(8-6-19)24-16-26(29-28-24)27-21-9-3-18(4-10-21)17-30-13-1-2-14-30/h3-12,15-16,31-32H,1-2,13-14,17H2,(H2,27,28,29)
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| InChIKey |
FWKYXJNFMVWNMH-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