General Information of the Compound
| Compound ID |
CP0911704
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| Compound Name |
3-[(4-Phenylpiperazinyl)methyl]-1-[2-(trifluoromethyl)phenyl]-1H-indole fumarate
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| Structure |
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| Formula |
C30H28F3N3O4
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| Molecular Weight |
551.565
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| Canonical SMILES |
FC(F)(F)c1ccccc1-n1cc(CN2CCN(c3ccccc3)CC2)c2ccccc21.O=C(O)/C=C/C(=O)O
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| InChI |
InChI=1S/C26H24F3N3.C4H4O4/c27-26(28,29)23-11-5-7-13-25(23)32-19-20(22-10-4-6-12-24(22)32)18-30-14-16-31(17-15-30)21-8-2-1-3-9-21;5-3(6)1-2-4(7)8/h1-13,19H,14-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
BJIJQYZKSLXYDW-WLHGVMLRSA-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