General Information of the Compound
| Compound ID |
CP0535914
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| Compound Name |
oxolan-2-ylmethyl 2-[4-[[5-chloro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]acetate
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| Structure |
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| Formula |
C26H26ClN5O5
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| Molecular Weight |
523.977
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| Canonical SMILES |
Clc1cnc(Nc2ccc(OCC(=O)OCC3CCCO3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C26H26ClN5O5/c1-2-23(33)29-18-5-3-6-19(13-18)30-25-22(27)14-28-26(32-25)31-17-8-10-20(11-9-17)36-16-24(34)37-15-21-7-4-12-35-21/h2-3,5-6,8-11,13-14,21H,1,4,7,12,15-16H2,(H,29,33)(H2,28,30,31,32)
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| InChIKey |
OSIQOYHWQMYZJW-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