General Information of the Compound
| Compound ID |
CP0493431
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| Compound Name |
US9481682, 122
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| Structure |
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| Formula |
C28H26F3N7O2
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| Molecular Weight |
549.557
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)nccc1C(F)(F)F
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| InChI |
InChI=1S/C28H26F3N7O2/c1-15-20(28(29,30)31)10-11-34-25(15)36-27(40)17-4-2-16(3-5-17)22-23-24(32)33-12-13-37(23)26(35-22)18-6-7-19-8-9-21(39)38(19)14-18/h2-5,10-13,18-19H,6-9,14H2,1H3,(H2,32,33)(H,34,36,40)/t18-,19+/m1/s1
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| InChIKey |
VPDNQQIMZRDDKG-MOPGFXCFSA-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