General Information of the Compound
| Compound ID |
CP0403575
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| Compound Name |
1'-[3,5-bis(trifluoromethyl)benzoyl]-2-methylsulfonyl-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 |
C26H23F6N3O5S
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| Molecular Weight |
603.541
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| Canonical SMILES |
CS(=O)(=O)N1CC2C(C(=O)N(C2=O)c2ccccc2)C11CCN(CC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H23F6N3O5S/c1-41(39,40)34-14-19-20(23(38)35(22(19)37)18-5-3-2-4-6-18)24(34)7-9-33(10-8-24)21(36)15-11-16(25(27,28)29)13-17(12-15)26(30,31)32/h2-6,11-13,19-20H,7-10,14H2,1H3
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| InChIKey |
DNKOFMRKTNVFCE-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