General Information of the Compound
| Compound ID |
CP0436120
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| Compound Name |
US9181182, 59
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| Structure |
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| Formula |
C27H29F3N2O2
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| Molecular Weight |
470.535
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| Canonical SMILES |
NC(CO)(CO)CN1CCc2cc(CCc3ccc(cc3)-c3ccccc3C(F)(F)F)ccc12
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| InChI |
InChI=1S/C27H29F3N2O2/c28-27(29,30)24-4-2-1-3-23(24)21-10-7-19(8-11-21)5-6-20-9-12-25-22(15-20)13-14-32(25)16-26(31,17-33)18-34/h1-4,7-12,15,33-34H,5-6,13-14,16-18,31H2
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| InChIKey |
PDQFHMIHPJQRIP-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