General Information of the Compound
| Compound ID |
CP0476904
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| Compound Name |
N'-[2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinolin-4-yl]ethane-1,2-diamine
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| Structure |
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| Formula |
C21H24N4O2S
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| Molecular Weight |
396.516
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| Canonical SMILES |
Cc1ccc2nc(cc(NCCN)c2c1)N1CCS(=O)(=O)c2ccccc2C1
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| InChI |
InChI=1S/C21H24N4O2S/c1-15-6-7-18-17(12-15)19(23-9-8-22)13-21(24-18)25-10-11-28(26,27)20-5-3-2-4-16(20)14-25/h2-7,12-13H,8-11,14,22H2,1H3,(H,23,24)
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| InChIKey |
MAEZLZJVRSSWHN-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