General Information of the Compound
| Compound ID |
CP0448216
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| Compound Name |
1'-[3,5-bis(trifluoromethyl)benzoyl]-2-methyl-5-(thiophen-2-ylmethyl)spiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione
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| Structure |
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| Formula |
C25H23F6N3O3S
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| Molecular Weight |
559.532
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| Canonical SMILES |
CN1C(=O)C2CN(Cc3cccs3)C3(CCN(CC3)C(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2C1=O
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| InChI |
InChI=1S/C25H23F6N3O3S/c1-32-21(36)18-13-34(12-17-3-2-8-38-17)23(19(18)22(32)37)4-6-33(7-5-23)20(35)14-9-15(24(26,27)28)11-16(10-14)25(29,30)31/h2-3,8-11,18-19H,4-7,12-13H2,1H3
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| InChIKey |
AMSYJCKYQVDRSP-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