General Information of the Compound
| Compound ID |
CP0432862
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| Compound Name |
N'-[2-[4-[3-hydroxy-3-(3-hydroxyphenyl)-3-phenylpropyl]-1,4-diazepan-1-yl]acetyl]thiophene-2-carbohydrazide
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| Structure |
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| Formula |
C27H32N4O4S
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| Molecular Weight |
508.644
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| Canonical SMILES |
Oc1cccc(c1)C(O)(CCN1CCCN(CC(=O)NNC(=O)c2cccs2)CC1)c1ccccc1
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| InChI |
InChI=1S/C27H32N4O4S/c32-23-10-4-9-22(19-23)27(35,21-7-2-1-3-8-21)12-15-30-13-6-14-31(17-16-30)20-25(33)28-29-26(34)24-11-5-18-36-24/h1-5,7-11,18-19,32,35H,6,12-17,20H2,(H,28,33)(H,29,34)
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| InChIKey |
ZTJCVYRQCYTWAX-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