General Information of the Compound
| Compound ID |
CP0461481
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| Compound Name |
6-chloro-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 |
C26H28ClFN2O
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| Molecular Weight |
438.974
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| Canonical SMILES |
Fc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1
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| InChI |
InChI=1S/C26H28ClFN2O/c27-22-9-10-23-24-21(22)4-3-14-26(24,25(31)29-23)13-1-2-15-30-16-11-19(12-17-30)18-5-7-20(28)8-6-18/h5-11H,1-4,12-17H2,(H,29,31)
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| InChIKey |
UWPMACBSCARCRJ-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