General Information of the Compound
| Compound ID |
CP0322297
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| Compound Name |
5-(4-piperazin-1-ylphenyl)-3-(4-propylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridin-2-amine
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| Structure |
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| Formula |
C26H31N5O3S
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| Molecular Weight |
493.633
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| Canonical SMILES |
CCCS(=O)(=O)N1CCOc2ccc(cc12)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C26H31N5O3S/c1-2-15-35(32,33)31-13-14-34-25-8-5-20(17-24(25)31)23-16-21(18-29-26(23)27)19-3-6-22(7-4-19)30-11-9-28-10-12-30/h3-8,16-18,28H,2,9-15H2,1H3,(H2,27,29)
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| InChIKey |
WKTLXYXOPICQKS-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