General Information of the Compound
| Compound ID |
CP0485333
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| Compound Name |
6-chloro-8-piperazin-1-yl-4-quinolin-8-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
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| Structure |
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| Formula |
C21H21ClN4O3S
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| Molecular Weight |
444.944
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| Canonical SMILES |
Clc1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1cccc2cccnc12
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| InChI |
InChI=1S/C21H21ClN4O3S/c22-16-13-17(25-9-7-23-8-10-25)21-18(14-16)26(11-12-29-21)30(27,28)19-5-1-3-15-4-2-6-24-20(15)19/h1-6,13-14,23H,7-12H2
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| InChIKey |
YHNQHTHMDONRLV-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