General Information of the Compound
| Compound ID |
CP0098898
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| Compound Name |
3-isopropyl-N-(4-methyl-3-(3-(2-(methylamino)pyridin-4-yl)pyridin-2-yloxy)phenyl)benzamide
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| Structure |
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| Formula |
C28H28N4O2
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| Molecular Weight |
452.558
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| Canonical SMILES |
CNc1cc(ccn1)-c1cccnc1Oc1cc(NC(=O)c2cccc(c2)C(C)C)ccc1C
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| InChI |
InChI=1S/C28H28N4O2/c1-18(2)20-7-5-8-22(15-20)27(33)32-23-11-10-19(3)25(17-23)34-28-24(9-6-13-31-28)21-12-14-30-26(16-21)29-4/h5-18H,1-4H3,(H,29,30)(H,32,33)
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| InChIKey |
VWYXMUBOMREMIL-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