General Information of the Compound
| Compound ID |
CP0848261
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| Compound Name |
1-(2,3-Dimethylphenyl)-3-[(4-phenylpiperazinyl)methyl]-1H-indole fumarate
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| Structure |
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| Formula |
C31H33N3O4
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| Molecular Weight |
511.622
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| Canonical SMILES |
Cc1cccc(-n2cc(CN3CCN(c4ccccc4)CC3)c3ccccc32)c1C.O=C(O)/C=C/C(=O)O
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| InChI |
InChI=1S/C27H29N3.C4H4O4/c1-21-9-8-14-26(22(21)2)30-20-23(25-12-6-7-13-27(25)30)19-28-15-17-29(18-16-28)24-10-4-3-5-11-24;5-3(6)1-2-4(7)8/h3-14,20H,15-19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
DRFUQFVCYNJAPB-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