General Information of the Compound
| Compound ID |
CP0483780
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| Compound Name |
4-(benzenesulfonyl)-6-chloro-8-(1,4-diazepan-1-yl)-2,3-dihydro-1,4-benzoxazine
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| Structure |
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| Formula |
C19H22ClN3O3S
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| Molecular Weight |
407.923
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| Canonical SMILES |
Clc1cc2N(CCOc2c(c1)N1CCCNCC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H22ClN3O3S/c20-15-13-17(22-9-4-7-21-8-10-22)19-18(14-15)23(11-12-26-19)27(24,25)16-5-2-1-3-6-16/h1-3,5-6,13-14,21H,4,7-12H2
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| InChIKey |
FQFZCSWUHPWZBP-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