General Information of the Compound
| Compound ID |
CP0487738
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| Compound Name |
1-[2-(1-benzothiophen-3-yl)acetyl]-N-[(4-chlorophenyl)methyl]-N-(3-cyanopropyl)-2-methylazetidine-2-carboxamide
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| Structure |
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| Formula |
C26H26ClN3O2S
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| Molecular Weight |
480.033
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| Canonical SMILES |
CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC#N)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H26ClN3O2S/c1-26(25(32)29(14-5-4-13-28)17-19-8-10-21(27)11-9-19)12-15-30(26)24(31)16-20-18-33-23-7-3-2-6-22(20)23/h2-3,6-11,18H,4-5,12,14-17H2,1H3
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| InChIKey |
NHSOPVNCGWWJRH-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