General Information of the Compound
| Compound ID |
CP0883753
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| Compound Name |
(4-((2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)(3-nitrophenyl)methanone
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| Structure |
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| Formula |
C31H26ClN5O3
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| Molecular Weight |
552.034
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| Canonical SMILES |
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
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| InChI |
InChI=1S/C31H26ClN5O3/c32-26-12-9-23(10-13-26)30-28(36-20-25(11-14-29(36)33-30)22-5-2-1-3-6-22)21-34-15-17-35(18-16-34)31(38)24-7-4-8-27(19-24)37(39)40/h1-14,19-20H,15-18,21H2
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| InChIKey |
CFTPVHFNZPGCHE-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