General Information of the Compound
| Compound ID |
CP0497389
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-[3-(1,4-dioxan-2-yl)phenyl]cyclopropyl]amino]-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C25H30F2N2O4
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| Molecular Weight |
460.521
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1COCCO1
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| InChI |
InChI=1S/C25H30F2N2O4/c1-16(30)29-22(11-17-9-20(26)13-21(27)10-17)23(31)14-28-25(5-6-25)19-4-2-3-18(12-19)24-15-32-7-8-33-24/h2-4,9-10,12-13,22-24,28,31H,5-8,11,14-15H2,1H3,(H,29,30)/t22-,23+,24?/m0/s1
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| InChIKey |
NGSPCALCYZCXEJ-XAGPSQNTSA-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