General Information of the Compound
| Compound ID |
CP0911383
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| Compound Name |
2-{4-[(1-Phenyl-1H-indol-3-yl)methyl]piperazinyl}phenol fumarate
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| Structure |
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| Formula |
C29H29N3O5
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| Molecular Weight |
499.567
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| Canonical SMILES |
O=C(O)/C=C/C(=O)O.Oc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c3ccccc23)CC1
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| InChI |
InChI=1S/C25H25N3O.C4H4O4/c29-25-13-7-6-12-24(25)27-16-14-26(15-17-27)18-20-19-28(21-8-2-1-3-9-21)23-11-5-4-10-22(20)23;5-3(6)1-2-4(7)8/h1-13,19,29H,14-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
SFZHPHCZZLGJBK-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