General Information of the Compound
| Compound ID |
CP0553251
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| Compound Name |
6-(4-methylpiperazin-1-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
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| Structure |
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| Formula |
C23H28N4O3
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| Molecular Weight |
408.502
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
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| InChI |
InChI=1S/C23H28N4O3/c1-25-13-15-26(16-14-25)19-10-11-20-21(17-19)30-23(29)27(20)22(28)24-12-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-11,17H,5-6,9,12-16H2,1H3,(H,24,28)
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| InChIKey |
CEQATFCHHAGXRX-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