General Information of the Compound
| Compound ID |
CP0485030
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| Compound Name |
3-{4-[4-(4-Acetylamino-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
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| Structure |
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| Formula |
C25H31N5O2
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| Molecular Weight |
433.556
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
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| InChI |
InChI=1S/C25H31N5O2/c1-18(31)28-21-6-8-22(9-7-21)30-14-12-29(13-15-30)11-3-2-4-20-17-27-24-10-5-19(25(26)32)16-23(20)24/h5-10,16-17,27H,2-4,11-15H2,1H3,(H2,26,32)(H,28,31)
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| InChIKey |
YAHUFCAARVRTSU-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