General Information of the Compound
| Compound ID |
CP0508441
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| Compound Name |
(4-pyrimidin-4-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
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| Structure |
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| Formula |
C23H20N10O
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| Molecular Weight |
452.482
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| Canonical SMILES |
O=C(N1CCN(CC1)c1ccncn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
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| InChI |
InChI=1S/C23H20N10O/c34-23(32-13-11-31(12-14-32)20-9-10-24-15-25-20)16-5-7-17(8-6-16)26-21-22-28-29-30-33(22)19-4-2-1-3-18(19)27-21/h1-10,15H,11-14H2,(H,26,27)
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| InChIKey |
SYUAOVBXCYHPOL-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