General Information of the Compound
| Compound ID |
CP0414451
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| Compound Name |
3-(1-phenylpyrazol-4-yl)-1H-indole
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| Structure |
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| Formula |
C17H13N3
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| Molecular Weight |
259.312
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| Canonical SMILES |
c1nn(cc1-c1c[nH]c2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C17H13N3/c1-2-6-14(7-3-1)20-12-13(10-19-20)16-11-18-17-9-5-4-8-15(16)17/h1-12,18H
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| InChIKey |
MWCBDRJRNJHXQJ-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