General Information of the Compound
| Compound ID |
CP0059179
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| Compound Name |
1,1-Bis(3''-Indolyl)Methane
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| Structure |
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| Formula |
C17H14N2
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| Molecular Weight |
246.313
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| Canonical SMILES |
C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
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| InChIKey |
VFTRKSBEFQDZKX-UHFFFAOYSA-N
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| CAS |
1968-05-4
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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
Protein ID: PT04383, G-protein coupled receptor 84
Cell-based Assay