General Information of the Compound
| Compound ID |
CP0457674
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| Compound Name |
3-(2-oxo-2-(4-(phenylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)ethyl)benzo[d]oxazol-2(3H)-one
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| Structure |
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| Formula |
C24H28N4O5S
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| Molecular Weight |
484.578
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| Canonical SMILES |
O=C(Cn1c2ccccc2oc1=O)N1CCN(CC1CN1CCCC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C24H28N4O5S/c29-23(18-28-21-10-4-5-11-22(21)33-24(28)30)27-15-14-26(17-19(27)16-25-12-6-7-13-25)34(31,32)20-8-2-1-3-9-20/h1-5,8-11,19H,6-7,12-18H2
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| InChIKey |
YOOCPUSFCXBQHY-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