General Information of the Compound
| Compound ID |
CP0434815
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| Compound Name |
1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}urea
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| Structure |
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| Formula |
C27H27ClF3N7O2
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| Molecular Weight |
574.007
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ncnc5ccn(C)c45)cc3Cl)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C27H27ClF3N7O2/c1-36-9-11-38(12-10-36)15-17-3-4-18(13-20(17)27(29,30)31)34-26(39)35-22-6-5-19(14-21(22)28)40-25-24-23(32-16-33-25)7-8-37(24)2/h3-8,13-14,16H,9-12,15H2,1-2H3,(H2,34,35,39)
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| InChIKey |
IYYUOMFAAASGGM-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