General Information of the Compound
| Compound ID |
CP0490514
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| Compound Name |
5-chloro-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 |
C24H27ClN4O5S
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| Molecular Weight |
519.023
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| Canonical SMILES |
Clc1ccc2oc(=O)n(CC(=O)N3CCN(CC3CN3CCCC3)S(=O)(=O)c3ccccc3)c2c1
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| InChI |
InChI=1S/C24H27ClN4O5S/c25-18-8-9-22-21(14-18)29(24(31)34-22)17-23(30)28-13-12-27(16-19(28)15-26-10-4-5-11-26)35(32,33)20-6-2-1-3-7-20/h1-3,6-9,14,19H,4-5,10-13,15-17H2
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| InChIKey |
SMFLJLXMNCFDOQ-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