General Information of the Compound
| Compound ID |
CP0488730
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| Compound Name |
US9193726, 53
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| Structure |
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| Formula |
C25H24ClF3N4O3
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| Molecular Weight |
520.939
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| Canonical SMILES |
C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(cc1Cl)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
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| InChI |
InChI=1S/C25H24ClF3N4O3/c1-14-12-31(13-30-14)19-5-6-20-24(35)32(9-10-33(20)23(19)34)15(2)21-7-8-22(36-21)17-4-3-16(11-18(17)26)25(27,28)29/h3-6,11-13,15,21-22H,7-10H2,1-2H3/t15-,21-,22+/m0/s1
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| InChIKey |
LZRBSMNAIXJFKR-UZQPLGKSSA-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