General Information of the Compound
| Compound ID |
CP0448961
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| Compound Name |
2a-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
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| Structure |
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| Formula |
C26H29FN2O
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| Molecular Weight |
404.529
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| Canonical SMILES |
Fc1ccc(cc1)C1=CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
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| InChI |
InChI=1S/C26H29FN2O/c27-22-10-8-19(9-11-22)20-12-17-29(18-13-20)16-2-1-14-26-15-4-6-21-5-3-7-23(24(21)26)28-25(26)30/h3,5,7-12H,1-2,4,6,13-18H2,(H,28,30)
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| InChIKey |
WFTIQBHOHOELTR-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