General Information of the Compound
| Compound ID |
CP0416387
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| Compound Name |
3-[2-(2-phenylethylamino)ethyl]-5-pyridin-3-yl-1H-indole-4,7-dione
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| Structure |
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| Formula |
C23H21N3O2
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| Molecular Weight |
371.44
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| Canonical SMILES |
O=C1C=C(C(=O)c2c(CCNCCc3ccccc3)c[nH]c12)c1cccnc1
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| InChI |
InChI=1S/C23H21N3O2/c27-20-13-19(17-7-4-10-25-14-17)23(28)21-18(15-26-22(20)21)9-12-24-11-8-16-5-2-1-3-6-16/h1-7,10,13-15,24,26H,8-9,11-12H2
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| InChIKey |
FQEIZMGTSXHJLY-UHFFFAOYSA-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