General Information of the Compound
| Compound ID |
CP0418325
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| Compound Name |
US9193726, 31
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| Structure |
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| Formula |
C23H18ClF4N5O3
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| Molecular Weight |
523.874
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CC3CC(=NO3)c3cc(cc(Cl)c3F)C(F)(F)F)CCn2c1=O
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| InChI |
InChI=1S/C23H18ClF4N5O3/c1-12-9-32(11-29-12)18-2-3-19-21(34)31(4-5-33(19)22(18)35)10-14-8-17(30-36-14)15-6-13(23(26,27)28)7-16(24)20(15)25/h2-3,6-7,9,11,14H,4-5,8,10H2,1H3
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| InChIKey |
XJMGJIOEAVHJDH-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