General Information of the Compound
| Compound ID |
CP0503606
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| Compound Name |
US9216968, 153
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| Structure |
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| Formula |
C28H28ClF3N6O2
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| Molecular Weight |
573.019
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| Canonical SMILES |
CN(C)CCCNc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C28H28ClF3N6O2/c1-16-21(29)10-6-11-22(16)35-26(40)19-14-17(34-25(39)18-8-4-5-9-20(18)28(30,31)32)15-23-24(19)37-27(36-23)33-12-7-13-38(2)3/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,34,39)(H,35,40)(H2,33,36,37)
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| InChIKey |
QYJJWJOVXBCMHD-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