General Information of the Compound
| Compound ID |
CP0954853
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| Compound Name |
3-{[4-(2-Methoxyphenyl)piperazinyl]methyl}-1-[2-(1-methylethyl)phenyl]-1H-indole fumarate
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| Structure |
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| Formula |
C33H37N3O5
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| Molecular Weight |
555.675
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cn(-c3ccccc3C(C)C)c3ccccc23)CC1.O=C(O)/C=C/C(=O)O
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| InChI |
InChI=1S/C29H33N3O.C4H4O4/c1-22(2)24-10-4-6-12-26(24)32-21-23(25-11-5-7-13-27(25)32)20-30-16-18-31(19-17-30)28-14-8-9-15-29(28)33-3;5-3(6)1-2-4(7)8/h4-15,21-22H,16-20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
ICHNENAZRLLQBJ-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