General Information of the Compound
Compound ID |
CP0394027
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Compound Name |
5-[1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]cyclopropyl]-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbonitrile
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Structure |
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Formula |
C23H19F4N7O2
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Molecular Weight |
501.444
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Canonical SMILES |
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(NC2(CC2)c2ncn(c2C#N)-c2cccc(c2)C(F)(F)F)n1
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InChI |
InChI=1S/C23H19F4N7O2/c1-13(24)17-11-36-21(35)34(17)18-5-8-29-20(31-18)32-22(6-7-22)19-16(10-28)33(12-30-19)15-4-2-3-14(9-15)23(25,26)27/h2-5,8-9,12-13,17H,6-7,11H2,1H3,(H,29,31,32)/t13-,17+/m0/s1
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InChIKey |
JUHQPXIXNMQZRR-SUMWQHHRSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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