General Information of the Compound
Compound ID |
CP0946016
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Compound Name |
US9187424, 242
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Structure |
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Formula |
C23H16F9N5O3
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Molecular Weight |
581.395
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Canonical SMILES |
O=C1NC(c2ccc(OCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc(OC(F)(F)F)cc2)=C1c1nn[nH]n1
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InChI |
InChI=1S/C23H16F9N5O3/c24-21(25,26)9-10-39-14-7-3-13(4-8-14)20(22(27,28)29)11-16(17(19(38)33-20)18-34-36-37-35-18)12-1-5-15(6-2-12)40-23(30,31)32/h1-8H,9-11H2,(H,33,38)(H,34,35,36,37)
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InChIKey |
UJVPZRPNVXQKPV-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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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