General Information of the Compound
| Compound ID |
CP0355167
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| Compound Name |
2-[4-[4-[[7-(2-cyanophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]acetamide
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| Structure |
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| Formula |
C27H27N7O2
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| Molecular Weight |
481.56
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3C#N)n2n1)C1CCN(CC(N)=O)CC1
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| InChI |
InChI=1S/C27H27N7O2/c1-36-25-14-19(18-10-12-33(13-11-18)17-26(29)35)6-8-23(25)31-27-30-16-21-7-9-24(34(21)32-27)22-5-3-2-4-20(22)15-28/h2-9,14,16,18H,10-13,17H2,1H3,(H2,29,35)(H,31,32)
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| InChIKey |
MOWRRSWYFUOCAR-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