General Information of the Compound
| Compound ID |
CP0497346
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| Compound Name |
4-Methyl-thiophene-2-carboxylic acid N''-(2-{4-[3-hydroxy-3-(3-hydroxy-phenyl)-3-phenyl-propyl]-[1,4]diazepan-1-yl}-acetyl)-hydrazide
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| Structure |
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| Formula |
C28H34N4O4S
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| Molecular Weight |
522.671
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| Canonical SMILES |
Cc1csc(c1)C(=O)NNC(=O)CN1CCCN(CCC(O)(c2ccccc2)c2cccc(O)c2)CC1
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| InChI |
InChI=1S/C28H34N4O4S/c1-21-17-25(37-20-21)27(35)30-29-26(34)19-32-13-6-12-31(15-16-32)14-11-28(36,22-7-3-2-4-8-22)23-9-5-10-24(33)18-23/h2-5,7-10,17-18,20,33,36H,6,11-16,19H2,1H3,(H,29,34)(H,30,35)
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| InChIKey |
LAXQWBGYKRJGLA-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