General Information of the Compound
| Compound ID |
CP0578157
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| Compound Name |
US9481682, 109
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| Structure |
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| Formula |
C28H24F3N7O3
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| Molecular Weight |
563.54
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2[C@@H](OC(=O)N2C1)C=C
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| InChI |
InChI=1S/C28H24F3N7O3/c1-2-20-19-8-7-17(14-38(19)27(40)41-20)25-36-22(23-24(32)34-11-12-37(23)25)15-3-5-16(6-4-15)26(39)35-21-13-18(9-10-33-21)28(29,30)31/h2-6,9-13,17,19-20H,1,7-8,14H2,(H2,32,34)(H,33,35,39)/t17-,19+,20+/m1/s1
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| InChIKey |
VGDDHKJZZGQHQA-HOJAQTOUSA-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