General Information of the Compound
| Compound ID |
CP0509746
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| Compound Name |
4-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzamide
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| Structure |
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| Formula |
C24H27N5O
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| Molecular Weight |
401.514
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| Canonical SMILES |
NC(=O)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C24H27N5O/c25-16-18-4-9-23-22(15-18)20(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-7-5-19(6-8-21)24(26)30/h4-9,15,17,27H,1-3,10-14H2,(H2,26,30)
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| InChIKey |
VCIWMQRQRVRAAL-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