General Information of the Compound
| Compound ID |
CP0910795
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| Compound Name |
1-(Naphth-2-yl)-3-[(4-phenylpiperazinyl)methyl]-1H-indole fumarate
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| Structure |
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| Formula |
C33H31N3O4
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| Molecular Weight |
533.628
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| Canonical SMILES |
O=C(O)/C=C/C(=O)O.c1ccc(N2CCN(Cc3cn(-c4ccc5ccccc5c4)c4ccccc34)CC2)cc1
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| InChI |
InChI=1S/C29H27N3.C4H4O4/c1-2-10-26(11-3-1)31-18-16-30(17-19-31)21-25-22-32(29-13-7-6-12-28(25)29)27-15-14-23-8-4-5-9-24(23)20-27;5-3(6)1-2-4(7)8/h1-15,20,22H,16-19,21H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
MTNLYYGBRSJONK-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