General Information of the Compound
| Compound ID |
CP0490872
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| Compound Name |
US9481682, 26
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| Structure |
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| Formula |
C27H24F3N7O2
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| Molecular Weight |
535.53
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4cc(ccn4)C(F)F)c(F)c3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C27H24F3N7O2/c28-19-11-14(2-5-18(19)27(39)34-20-12-15(24(29)30)7-8-32-20)22-23-25(31)33-9-10-36(23)26(35-22)16-1-3-17-4-6-21(38)37(17)13-16/h2,5,7-12,16-17,24H,1,3-4,6,13H2,(H2,31,33)(H,32,34,39)/t16-,17+/m1/s1
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| InChIKey |
TULNGWAIGBGKEH-SJORKVTESA-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