General Information of the Compound
| Compound ID |
CP0428865
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| Compound Name |
1-[2-(1-benzothiophen-3-yl)acetyl]-N-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-yl-4-oxobutyl)azetidine-2-carboxamide
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| Structure |
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| Formula |
C30H34ClN3O4S
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| Molecular Weight |
568.139
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| Canonical SMILES |
CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(=O)N1CCOCC1)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C30H34ClN3O4S/c1-30(12-14-34(30)28(36)19-23-21-39-26-6-3-2-5-25(23)26)29(37)33(20-22-8-10-24(31)11-9-22)13-4-7-27(35)32-15-17-38-18-16-32/h2-3,5-6,8-11,21H,4,7,12-20H2,1H3
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| InChIKey |
JCCWKDCSIWNMHF-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