General Information of the Compound
| Compound ID |
CP0176810
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| Compound Name |
N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C20H18N6O2S
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| Molecular Weight |
406.471
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| Canonical SMILES |
O=C(Nc1noc2ccccc12)N1CCN(CC1)c1nc(ns1)-c1ccccc1
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| InChI |
InChI=1S/C20H18N6O2S/c27-19(21-18-15-8-4-5-9-16(15)28-23-18)25-10-12-26(13-11-25)20-22-17(24-29-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,23,27)
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| InChIKey |
FXEXASVEXQCUMU-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