General Information of the Compound
| Compound ID |
CP0573113
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| Compound Name |
3-[4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-1-yl]-4-(quinolin-5-ylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C32H28N4O5
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| Molecular Weight |
548.599
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)N1CCN(CC1c1ccccc1)c1c(Nc2cccc3ncccc23)c(=O)c1=O
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| InChI |
InChI=1S/C32H28N4O5/c1-40-26-14-13-21(18-27(26)41-2)32(39)36-17-16-35(19-25(36)20-8-4-3-5-9-20)29-28(30(37)31(29)38)34-24-12-6-11-23-22(24)10-7-15-33-23/h3-15,18,25,34H,16-17,19H2,1-2H3
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| InChIKey |
IWJIEXHVBIFHNI-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