General Information of the Compound
| Compound ID |
CP0494351
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| Compound Name |
4-[1,3-benzothiazol-5-ylmethyl-[1-[2-(1-benzothiophen-3-yl)acetyl]-2-methylazetidine-2-carbonyl]amino]butanoic acid
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| Structure |
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| Formula |
C27H27N3O4S2
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| Molecular Weight |
521.664
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| Canonical SMILES |
CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2scnc2c1
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| InChI |
InChI=1S/C27H27N3O4S2/c1-27(10-12-30(27)24(31)14-19-16-35-22-6-3-2-5-20(19)22)26(34)29(11-4-7-25(32)33)15-18-8-9-23-21(13-18)28-17-36-23/h2-3,5-6,8-9,13,16-17H,4,7,10-12,14-15H2,1H3,(H,32,33)
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| InChIKey |
QXLZWWVAVKNFGX-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