General Information of the Compound
| Compound ID |
CP0098896
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| Compound Name |
N-[4-methyl-3-[3-[4-(methylamino)-1,3,5-triazin-2-yl]pyridin-2-yl]oxyphenyl]-3-pyrrol-1-ylbenzamide
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| Structure |
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| Formula |
C27H23N7O2
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| Molecular Weight |
477.528
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| Canonical SMILES |
CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(c2)-n2cccc2)ccc1C
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| InChI |
InChI=1S/C27H23N7O2/c1-18-10-11-20(32-25(35)19-7-5-8-21(15-19)34-13-3-4-14-34)16-23(18)36-26-22(9-6-12-29-26)24-30-17-31-27(28-2)33-24/h3-17H,1-2H3,(H,32,35)(H,28,30,31,33)
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| InChIKey |
DHZLFQDEWDADBD-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