General Information of the Compound
| Compound ID |
CP0881829
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| Compound Name |
2-{4-[(Naphthyl-1H-indol-3-yl)methyl]piperazinyl}phenol fumarate
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| Structure |
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| Formula |
C33H31N3O5
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| Molecular Weight |
549.627
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| Canonical SMILES |
O=C(O)/C=C/C(=O)O.Oc1ccccc1N1CCN(Cc2cn(-c3cccc4ccccc34)c3ccccc23)CC1
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| InChI |
InChI=1S/C29H27N3O.C4H4O4/c33-29-15-6-5-13-28(29)31-18-16-30(17-19-31)20-23-21-32(26-12-4-3-11-25(23)26)27-14-7-9-22-8-1-2-10-24(22)27;5-3(6)1-2-4(7)8/h1-15,21,33H,16-20H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
XHVWFILAXKFHCY-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