General Information of the Compound
| Compound ID |
CP0484120
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| Compound Name |
3-[4-(4-{2-Cyano-3-[2-(2-ethoxy-ethoxy)-ethoxy]-phenyl}-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
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| Structure |
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| Formula |
C30H39N5O4
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| Molecular Weight |
533.673
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| Canonical SMILES |
CCOCCOCCOc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C(N)=O)CC2)c1C#N
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| InChI |
InChI=1S/C30H39N5O4/c1-2-37-16-17-38-18-19-39-29-8-5-7-28(26(29)21-31)35-14-12-34(13-15-35)11-4-3-6-24-22-33-27-10-9-23(30(32)36)20-25(24)27/h5,7-10,20,22,33H,2-4,6,11-19H2,1H3,(H2,32,36)
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| InChIKey |
ZSUFDIUGZONWRS-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