General Information of the Compound
| Compound ID |
CP0518582
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| Compound Name |
3-(6-chloro-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile
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| Structure |
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| Formula |
C23H17ClN2
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| Molecular Weight |
356.856
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| Canonical SMILES |
Clc1ccc2c(C(CC#N)c3ccccc3)c([nH]c2c1)-c1ccccc1
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| InChI |
InChI=1S/C23H17ClN2/c24-18-11-12-20-21(15-18)26-23(17-9-5-2-6-10-17)22(20)19(13-14-25)16-7-3-1-4-8-16/h1-12,15,19,26H,13H2
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| InChIKey |
PMZLTHVRZXUXAI-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