General Information of the Compound
| Compound ID |
CP0551909
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| Compound Name |
US9481682, 17
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| Structure |
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| Formula |
C27H25F2N7O2
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| Molecular Weight |
517.54
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C27H25F2N7O2/c28-24(29)17-9-10-31-20(13-17)33-27(38)16-3-1-15(2-4-16)22-23-25(30)32-11-12-35(23)26(34-22)18-5-6-19-7-8-21(37)36(19)14-18/h1-4,9-13,18-19,24H,5-8,14H2,(H2,30,32)(H,31,33,38)/t18-,19+/m1/s1
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| InChIKey |
XRUPOBKANAPJIY-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