General Information of the Compound
| Compound ID |
CP0252232
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| Compound Name |
N-(1,2-benzoxazol-3-yl)-4-(4-phenylthiophen-2-yl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C22H20N4O2S
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| Molecular Weight |
404.495
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| Canonical SMILES |
O=C(Nc1noc2ccccc12)N1CCN(CC1)c1cc(cs1)-c1ccccc1
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| InChI |
InChI=1S/C22H20N4O2S/c27-22(23-21-18-8-4-5-9-19(18)28-24-21)26-12-10-25(11-13-26)20-14-17(15-29-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2,(H,23,24,27)
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| InChIKey |
XUJFRHWWFVTGAV-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