General Information of the Compound
| Compound ID |
CP0533477
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| Compound Name |
[4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
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| Structure |
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| Formula |
C24H20N10O2
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| Molecular Weight |
480.492
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| Canonical SMILES |
O=C(N1CCN(CC1)C(=O)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
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| InChI |
InChI=1S/C24H20N10O2/c35-23(32-12-14-33(15-13-32)24(36)21-25-10-3-11-26-21)16-6-8-17(9-7-16)27-20-22-29-30-31-34(22)19-5-2-1-4-18(19)28-20/h1-11H,12-15H2,(H,27,28)
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| InChIKey |
LJJWIAJNQUBHRY-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