General Information of the Compound
| Compound ID |
CP0460512
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| Compound Name |
2-[3,5-bis(trifluoromethyl)benzoyl]-1'-(2,5-dimethoxyphenyl)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 |
C33H29F6N3O7S
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| Molecular Weight |
725.664
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| Canonical SMILES |
COc1ccc(OC)c(c1)S(=O)(=O)N1CCC2(CC1)C1C(CN2C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C1=O)c1ccccc1
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| InChI |
InChI=1S/C33H29F6N3O7S/c1-48-23-8-9-25(49-2)26(17-23)50(46,47)40-12-10-31(11-13-40)27-24(29(44)42(30(27)45)22-6-4-3-5-7-22)18-41(31)28(43)19-14-20(32(34,35)36)16-21(15-19)33(37,38)39/h3-9,14-17,24,27H,10-13,18H2,1-2H3
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| InChIKey |
FTFGWRNMMHQZBL-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