General Information of the Compound
| Compound ID |
CP0425159
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| Compound Name |
(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)pyridin-4-yl]-1,3,4-thiadiazol-2-yl]phenoxy]propan-1-ol
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| Structure |
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| Formula |
C21H24ClFN4O2S
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| Molecular Weight |
450.967
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| Canonical SMILES |
CC(C)Cc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl
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| InChI |
InChI=1S/C21H24ClFN4O2S/c1-11(2)4-15-6-13(5-12(3)25-15)20-26-27-21(30-20)16-7-18(23)19(8-17(16)22)29-10-14(24)9-28/h5-8,11,14,28H,4,9-10,24H2,1-3H3/t14-/m1/s1
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| InChIKey |
ZMDMBZLDKVZLCF-CQSZACIVSA-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