General Information of the Compound
| Compound ID |
CP0532348
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| Compound Name |
(E)-N-Hydroxy-3-{4-[3-(2-phenyl-1H-indol-3-yl)piperidin-1-ylmethyl]phenyl}acrylamide
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| Structure |
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| Formula |
C29H29N3O2
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| Molecular Weight |
451.57
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| Canonical SMILES |
ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c([nH]c3ccccc23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C29H29N3O2/c33-27(31-34)17-16-21-12-14-22(15-13-21)19-32-18-6-9-24(20-32)28-25-10-4-5-11-26(25)30-29(28)23-7-2-1-3-8-23/h1-5,7-8,10-17,24,30,34H,6,9,18-20H2,(H,31,33)/b17-16+
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| InChIKey |
OSLCXRHTDASFII-WUKNDPDISA-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