General Information of the Compound
| Compound ID |
CP0373006
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| Compound Name |
1'-[3,5-bis(trifluoromethyl)benzoyl]-2-methyl-5-naphthalen-2-ylsulfonylspiro[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 |
C30H25F6N3O5S
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| Molecular Weight |
653.601
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| Canonical SMILES |
CN1C(=O)C2CN(C3(CCN(CC3)C(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2C1=O)S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C30H25F6N3O5S/c1-37-26(41)23-16-39(45(43,44)22-7-6-17-4-2-3-5-18(17)14-22)28(24(23)27(37)42)8-10-38(11-9-28)25(40)19-12-20(29(31,32)33)15-21(13-19)30(34,35)36/h2-7,12-15,23-24H,8-11,16H2,1H3
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| InChIKey |
BLMXPQBNRUSVOP-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