General Information of the Compound
| Compound ID |
CP0398440
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| Compound Name |
4-[[1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carbonyl]-(1H-indol-6-ylmethyl)amino]butanoic acid
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| Structure |
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| Formula |
C28H33N3O4
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| Molecular Weight |
475.589
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| Canonical SMILES |
Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(O)=O)Cc2ccc3cc[nH]c3c2)c1
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| InChI |
InChI=1S/C28H33N3O4/c1-19-13-20(2)15-22(14-19)17-25(32)31-12-9-28(31,3)27(35)30(11-4-5-26(33)34)18-21-6-7-23-8-10-29-24(23)16-21/h6-8,10,13-16,29H,4-5,9,11-12,17-18H2,1-3H3,(H,33,34)
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| InChIKey |
PAYTXAKBOHGCDD-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