General Information of the Compound
| Compound ID |
CP0910801
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| Compound Name |
1-Phenyl-3-[(4-phenylpiperazinyl)methyl]-1H-indole fumarate
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| Structure |
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| Formula |
C29H29N3O4
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| Molecular Weight |
483.568
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| Canonical SMILES |
O=C(O)/C=C/C(=O)O.c1ccc(N2CCN(Cc3cn(-c4ccccc4)c4ccccc34)CC2)cc1
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| InChI |
InChI=1S/C25H25N3.C4H4O4/c1-3-9-22(10-4-1)27-17-15-26(16-18-27)19-21-20-28(23-11-5-2-6-12-23)25-14-8-7-13-24(21)25;5-3(6)1-2-4(7)8/h1-14,20H,15-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
ZPRJOVUYVRQUGD-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