General Information of the Compound
| Compound ID |
CP0895550
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| Compound Name |
(4-benzhydrylpiperazin-1-yl)(5-methyl-4-nitroisoxazol-3-yl)methanone
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| Structure |
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| Formula |
C22H22N4O4
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| Molecular Weight |
406.442
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| Canonical SMILES |
Cc1onc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-]
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| InChI |
InChI=1S/C22H22N4O4/c1-16-20(26(28)29)19(23-30-16)22(27)25-14-12-24(13-15-25)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,21H,12-15H2,1H3
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| InChIKey |
LIQBVUZFMCEFNE-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
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8