General Information of the Compound
| Compound ID |
CP0550606
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| Compound Name |
1-[(2S)-3-(4-cyanophenyl)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C22H21F3N4O2
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| Molecular Weight |
430.43
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| Canonical SMILES |
Fc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N2CCC(F)(F)CC2)cc1
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| InChI |
InChI=1S/C22H21F3N4O2/c23-17-5-7-18(8-6-17)27-21(31)28-19(13-15-1-3-16(14-26)4-2-15)20(30)29-11-9-22(24,25)10-12-29/h1-8,19H,9-13H2,(H2,27,28,31)/t19-/m0/s1
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| InChIKey |
DQABMMOUZFMXEW-IBGZPJMESA-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