General Information of the Compound
| Compound ID |
CP0438690
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| Compound Name |
(E)-N-Hydroxy-3-{4-[2-(2-methyl-1H-indol-3-ylmethyl)piperidin-1-ylmethyl]phenyl}acrylamide
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| Structure |
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| Formula |
C25H29N3O2
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| Molecular Weight |
403.526
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1CC1CCCCN1Cc1ccc(\C=C\C(=O)NO)cc1
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| InChI |
InChI=1S/C25H29N3O2/c1-18-23(22-7-2-3-8-24(22)26-18)16-21-6-4-5-15-28(21)17-20-11-9-19(10-12-20)13-14-25(29)27-30/h2-3,7-14,21,26,30H,4-6,15-17H2,1H3,(H,27,29)/b14-13+
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| InChIKey |
JWGSDBMJBSBRAV-BUHFOSPRSA-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