General Information of the Compound
| Compound ID |
CP0448086
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| Compound Name |
3-(4-Chloro-phenyl)-1-phenyl-4,5,6,7-tetrahydro-1H-indazole
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| Structure |
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| Formula |
C19H17ClN2
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| Molecular Weight |
308.812
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| Canonical SMILES |
Clc1ccc(cc1)-c1nn(c2CCCCc12)-c1ccccc1
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| InChI |
InChI=1S/C19H17ClN2/c20-15-12-10-14(11-13-15)19-17-8-4-5-9-18(17)22(21-19)16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9H2
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| InChIKey |
PRAVQSTUHDHGPJ-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