General Information of the Compound
| Compound ID |
CP0247729
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| Compound Name |
(8R)-3-[3-[2-(4-chloranylphenoxy)ethanoylamino]phenyl]-7-(2,2-diphenylethanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
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| Structure |
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| Formula |
C35H31ClN4O5
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| Molecular Weight |
623.109
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| Canonical SMILES |
NC(=O)[C@H]1CC2(CN1C(=O)C(c1ccccc1)c1ccccc1)CC(=NO2)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C35H31ClN4O5/c36-26-14-16-28(17-15-26)44-21-31(41)38-27-13-7-12-25(18-27)29-19-35(45-39-29)20-30(33(37)42)40(22-35)34(43)32(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-18,30,32H,19-22H2,(H2,37,42)(H,38,41)/t30-,35?/m1/s1
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| InChIKey |
GHAMIKUGMNHNGL-OSRRZMJMSA-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