General Information of the Compound
| Compound ID |
CP0860801
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| Compound Name |
(4-((2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)(thiophen-2-yl)methanone
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| Structure |
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| Formula |
C29H25N5O3S
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| Molecular Weight |
523.618
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| Canonical SMILES |
O=C(c1cccs1)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4ccccc4)cn23)CC1
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| InChI |
InChI=1S/C29H25N5O3S/c35-29(26-7-4-18-38-26)32-16-14-31(15-17-32)20-25-28(22-8-11-24(12-9-22)34(36)37)30-27-13-10-23(19-33(25)27)21-5-2-1-3-6-21/h1-13,18-19H,14-17,20H2
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| InChIKey |
GGRCPILWDJZRMH-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