General Information of the Compound
| Compound ID |
CP0528238
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| Compound Name |
3-[4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-1-yl]-4-(2-methylanilino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C30H29N3O5
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| Molecular Weight |
511.578
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)N1CCN(CC1c1ccccc1)c1c(Nc2ccccc2C)c(=O)c1=O
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| InChI |
InChI=1S/C30H29N3O5/c1-19-9-7-8-12-22(19)31-26-27(29(35)28(26)34)32-15-16-33(23(18-32)20-10-5-4-6-11-20)30(36)21-13-14-24(37-2)25(17-21)38-3/h4-14,17,23,31H,15-16,18H2,1-3H3
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| InChIKey |
PMPXGEGQMCCWNN-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