General Information of the Compound
| Compound ID |
CP0483041
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| Compound Name |
1'-[3,5-bis(trifluoromethyl)benzoyl]-2-(2-morpholin-4-ylacetyl)-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 |
C31H30F6N4O5
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| Molecular Weight |
652.592
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| Canonical SMILES |
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)C1C(CN2C(=O)CN2CCOCC2)C(=O)N(C1=O)c1ccccc1
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| InChI |
InChI=1S/C31H30F6N4O5/c32-30(33,34)20-14-19(15-21(16-20)31(35,36)37)26(43)39-8-6-29(7-9-39)25-23(17-40(29)24(42)18-38-10-12-46-13-11-38)27(44)41(28(25)45)22-4-2-1-3-5-22/h1-5,14-16,23,25H,6-13,17-18H2
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| InChIKey |
HZJZQJCMAGYKKL-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