General Information of the Compound
| Compound ID |
CP0152032
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| Compound Name |
3-{4-[4-amino-6-(3-hydroxypropyl)thieno[2,3-d]pyrimidin-5-yl]phenyl}-1-(3-methylphenyl)urea
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| Structure |
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| Formula |
C23H23N5O2S
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| Molecular Weight |
433.537
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CCCO)sc3ncnc(N)c23)c1
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| InChI |
InChI=1S/C23H23N5O2S/c1-14-4-2-5-17(12-14)28-23(30)27-16-9-7-15(8-10-16)19-18(6-3-11-29)31-22-20(19)21(24)25-13-26-22/h2,4-5,7-10,12-13,29H,3,6,11H2,1H3,(H2,24,25,26)(H2,27,28,30)
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| InChIKey |
QFPRMYTURWHCEE-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