General Information of the Compound
| Compound ID |
CP0523641
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| Compound Name |
2-[4-[4-[[5-chloro-7-[2-[methyl(methylsulfonyl)amino]phenyl]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 |
C28H32ClN7O4S
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| Molecular Weight |
598.129
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2c(Cl)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
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| InChI |
InChI=1S/C28H32ClN7O4S/c1-34(41(3,38)39)23-7-5-4-6-20(23)24-15-21(29)25-16-31-28(33-36(24)25)32-22-9-8-19(14-26(22)40-2)18-10-12-35(13-11-18)17-27(30)37/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,30,37)(H,32,33)
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| InChIKey |
FWFBPWPSNFCBOI-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