General Information of the Compound
| Compound ID |
CP0550184
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| Compound Name |
US9181182, 39
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| Structure |
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| Formula |
C27H29F3N2O3
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| Molecular Weight |
486.534
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| Canonical SMILES |
NC(CO)(CO)CN1CCc2cc(OCc3ccc(cc3)-c3ccccc3C(F)(F)F)ccc2C1
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| InChI |
InChI=1S/C27H29F3N2O3/c28-27(29,30)25-4-2-1-3-24(25)20-7-5-19(6-8-20)15-35-23-10-9-22-14-32(12-11-21(22)13-23)16-26(31,17-33)18-34/h1-10,13,33-34H,11-12,14-18,31H2
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| InChIKey |
BFEMPRXBQNJRKF-UHFFFAOYSA-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