General Information of the Compound
| Compound ID |
CP0142451
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| Compound Name |
N-(1,2-benzoxazol-3-yl)-5-(3-phenyl-1,2,4-thiadiazol-5-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
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| Structure |
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| Formula |
C21H18N6O2S
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| Molecular Weight |
418.482
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| Canonical SMILES |
O=C(Nc1noc2ccccc12)N1CC2CC1CN2c1nc(ns1)-c1ccccc1
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| InChI |
InChI=1S/C21H18N6O2S/c28-20(22-19-16-8-4-5-9-17(16)29-24-19)26-11-15-10-14(26)12-27(15)21-23-18(25-30-21)13-6-2-1-3-7-13/h1-9,14-15H,10-12H2,(H,22,24,28)
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| InChIKey |
DRKWHSZFWNHTMH-UHFFFAOYSA-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