General Information of the Compound
| Compound ID |
CP0539791
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| Compound Name |
N'-[2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinolin-4-yl]butane-1,4-diamine
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| Structure |
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| Formula |
C23H28N4O2S
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| Molecular Weight |
424.57
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| Canonical SMILES |
Cc1ccc2nc(cc(NCCCCN)c2c1)N1CCS(=O)(=O)c2ccccc2C1
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| InChI |
InChI=1S/C23H28N4O2S/c1-17-8-9-20-19(14-17)21(25-11-5-4-10-24)15-23(26-20)27-12-13-30(28,29)22-7-3-2-6-18(22)16-27/h2-3,6-9,14-15H,4-5,10-13,16,24H2,1H3,(H,25,26)
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| InChIKey |
WPTPJPJQMRFIMJ-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