General Information of the Compound
| Compound ID |
CP0540296
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| Compound Name |
2-[3,5-bis(trifluoromethyl)benzoyl]-1'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-5-phenylspiro[3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-dione
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| Structure |
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| Formula |
C33H26F6N4O7S
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| Molecular Weight |
736.647
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CC2C(C(=O)N(C2=O)c2ccccc2)C11CCN(CC1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C33H26F6N4O7S/c34-32(35,36)19-12-18(13-20(14-19)33(37,38)39)28(45)42-16-23-27(30(47)43(29(23)46)21-4-2-1-3-5-21)31(42)8-10-41(11-9-31)51(48,49)22-6-7-25-24(15-22)40-26(44)17-50-25/h1-7,12-15,23,27H,8-11,16-17H2,(H,40,44)
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| InChIKey |
XVXLZWKAPZUIGE-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