General Information of the Compound
| Compound ID |
CP0521146
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| Compound Name |
1'-acetyl-5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-phenylmethoxyacetyl)spiro[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 |
C30H29F6N3O5
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| Molecular Weight |
625.566
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| Canonical SMILES |
CC(=O)N1CCC2(CC1)C1C(CN2C(=O)COCc2ccccc2)C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C30H29F6N3O5/c1-18(40)37-9-7-28(8-10-37)25-23(15-39(28)24(41)17-44-16-19-5-3-2-4-6-19)26(42)38(27(25)43)14-20-11-21(29(31,32)33)13-22(12-20)30(34,35)36/h2-6,11-13,23,25H,7-10,14-17H2,1H3
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| InChIKey |
RVKBMGOBDMERLT-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