General Information of the Compound
| Compound ID |
CP0454310
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| Compound Name |
(3aS,5S,9aS)-5-[1-(2-methoxyphenyl)-1H-pyrazol-4-yl]-2-phenylhexahydro-7H-pyrrolo[3,4-g]pyrrolizin-1(2H)-one
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| Structure |
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| Formula |
C25H26N4O2
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| Molecular Weight |
414.509
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| Canonical SMILES |
COc1ccccc1-n1cc(cn1)[C@@H]1C[C@H]2CN(C(=O)[C@]22CCCN12)c1ccccc1
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| InChI |
InChI=1S/C25H26N4O2/c1-31-23-11-6-5-10-21(23)29-16-18(15-26-29)22-14-19-17-27(20-8-3-2-4-9-20)24(30)25(19)12-7-13-28(22)25/h2-6,8-11,15-16,19,22H,7,12-14,17H2,1H3/t19-,22-,25-/m0/s1
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| InChIKey |
GXTDMBWAWOCPGD-JTJYXVOQSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8