General Information of the Compound
| Compound ID |
CP0405689
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-[3-(1,3-dioxepan-5-yl)phenyl]cyclohexyl]amino]-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C29H38F2N2O4
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| Molecular Weight |
516.629
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOCOC1
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| InChI |
InChI=1S/C29H38F2N2O4/c1-20(34)33-27(14-21-12-25(30)16-26(31)13-21)28(35)17-32-29(9-3-2-4-10-29)24-7-5-6-22(15-24)23-8-11-36-19-37-18-23/h5-7,12-13,15-16,23,27-28,32,35H,2-4,8-11,14,17-19H2,1H3,(H,33,34)/t23?,27-,28+/m0/s1
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| InChIKey |
SNCUIVJNMNJXKM-WHWDJVTISA-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