General Information of the Compound
| Compound ID |
CP0954854
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| Compound Name |
1-[2-(1-Methylethyl)phenyl]-3-[(4-phenylpiperazinyl)methyl]-1H-indole fumarate
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| Structure |
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| Formula |
C32H35N3O4
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| Molecular Weight |
525.649
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| Canonical SMILES |
CC(C)c1ccccc1-n1cc(CN2CCN(c3ccccc3)CC2)c2ccccc21.O=C(O)/C=C/C(=O)O
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| InChI |
InChI=1S/C28H31N3.C4H4O4/c1-22(2)25-12-6-8-14-27(25)31-21-23(26-13-7-9-15-28(26)31)20-29-16-18-30(19-17-29)24-10-4-3-5-11-24;5-3(6)1-2-4(7)8/h3-15,21-22H,16-20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
MGYXMDTZUQYBOE-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