General Information of the Compound
| Compound ID |
CP0441590
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| Compound Name |
US9193726, 32
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| Structure |
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| Formula |
C23H19ClF3N5O3
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| Molecular Weight |
505.884
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CC3CC(=NO3)c3cccc(c3Cl)C(F)(F)F)CCn2c1=O
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| InChI |
InChI=1S/C23H19ClF3N5O3/c1-13-10-31(12-28-13)18-5-6-19-21(33)30(7-8-32(19)22(18)34)11-14-9-17(29-35-14)15-3-2-4-16(20(15)24)23(25,26)27/h2-6,10,12,14H,7-9,11H2,1H3
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| InChIKey |
NPQYFTJBBKEVMH-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