General Information of the Compound
| Compound ID |
CP0465919
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| Compound Name |
US9481682, 167
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| Structure |
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| Formula |
C29H27F2N7O2
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| Molecular Weight |
543.578
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| Canonical SMILES |
Nc1ncc(F)n2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C29H27F2N7O2/c30-21-11-17(29(40)35-23-12-16(9-10-33-23)15-1-2-15)4-7-20(21)25-26-27(32)34-13-22(31)38(26)28(36-25)18-3-5-19-6-8-24(39)37(19)14-18/h4,7,9-13,15,18-19H,1-3,5-6,8,14H2,(H2,32,34)(H,33,35,40)/t18-,19+/m1/s1
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| InChIKey |
SGLRLXJDGNVQLG-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