General Information of the Compound
| Compound ID |
CP0575660
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| Compound Name |
US8993557, 37
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| Formula |
C21H23F3N2O3
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| Molecular Weight |
408.42
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| Canonical SMILES |
Oc1c(ccn(CCC(F)(F)F)c1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C21H23F3N2O3/c22-21(23,24)11-13-26-12-10-17(18(27)20(26)29)19(28)25-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,10,12,15-16,27H,6-9,11,13H2,(H,25,28)/t15-,16+
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| InChIKey |
ACWHTUOKWGNVIC-IYBDPMFKSA-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