General Information of the Compound
| Compound ID |
CP0470309
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| Compound Name |
US9120756, 40
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| Structure |
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| Formula |
C27H21ClF4N4O2
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| Molecular Weight |
544.936
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(cc1)C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C27H21ClF4N4O2/c1-16(17-5-7-18(8-6-17)26(38)34-21-11-9-20(29)10-12-21)25(37)33-15-23-14-24(27(30,31)32)35-36(23)22-4-2-3-19(28)13-22/h2-14,16H,15H2,1H3,(H,33,37)(H,34,38)
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| InChIKey |
DNULSHLINXOLAT-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