General Information of the Compound
| Compound ID |
CP0920712
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| Compound Name |
US9481682, 177
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| Structure |
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| Formula |
C25H23F3N8O2
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| Molecular Weight |
524.507
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| Canonical SMILES |
Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4nc(C(F)(F)F)c[nH]4)cc3)c12
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| InChI |
InChI=1S/C25H23F3N8O2/c26-25(27,28)17-11-31-24(32-17)34-23(38)14-3-1-13(2-4-14)19-20-21(29)30-9-10-35(20)22(33-19)15-5-6-16-7-8-18(37)36(16)12-15/h1-4,9-11,15-16H,5-8,12H2,(H2,29,30)(H2,31,32,34,38)/t15-,16+/m1/s1
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| InChIKey |
XJZOELAGRWJHAP-CVEARBPZSA-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