General Information of the Compound
| Compound ID |
CP0945036
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| Compound Name |
1-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)phenyl)-3-(2-(trifluoromethyl)phenyl)urea
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| Structure |
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| Formula |
C25H23F3N6O
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| Molecular Weight |
480.494
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| Canonical SMILES |
O=C(Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1)Nc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C25H23F3N6O/c26-25(27,28)20-8-1-2-9-21(20)33-24(35)32-18-7-3-5-16(13-18)17-6-4-12-34(14-17)23-19-10-11-29-22(19)30-15-31-23/h1-3,5,7-11,13,15,17H,4,6,12,14H2,(H,29,30,31)(H2,32,33,35)
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| InChIKey |
QEYWDPAMQNDXPO-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