General Information of the Compound
| Compound ID |
CP0320206
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| Compound Name |
N-[(1R,2S,3S)-1-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-hydroxybutan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
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| Structure |
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| Formula |
C27H22F3N5O4
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| Molecular Weight |
537.498
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| Canonical SMILES |
C[C@H](O)[C@H](NC(=O)c1nnc(C)o1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C27H22F3N5O4/c1-14(36)24(32-26(37)27-34-33-15(2)38-27)25(16-9-19(29)12-20(30)10-16)39-22-7-8-23-17(11-22)13-31-35(23)21-5-3-18(28)4-6-21/h3-14,24-25,36H,1-2H3,(H,32,37)/t14-,24-,25+/m0/s1
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| InChIKey |
WFWFNBNFXTVQNJ-SICHLOQXSA-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