General Information of the Compound
| Compound ID |
CP0543707
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| Compound Name |
2-[5-[(2R)-4-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
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| Structure |
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| Formula |
C21H26N6OS
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| Molecular Weight |
410.547
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1cnc(cn1)C(C)(C)O)c1nnc(Cc2ccccc2)s1
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| InChI |
InChI=1S/C21H26N6OS/c1-15-14-26(20-25-24-19(29-20)11-16-7-5-4-6-8-16)9-10-27(15)18-13-22-17(12-23-18)21(2,3)28/h4-8,12-13,15,28H,9-11,14H2,1-3H3/t15-/m1/s1
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| InChIKey |
MXNYJDXTIARRPY-OAHLLOKOSA-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