General Information of the Compound
| Compound ID |
CP0521147
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| Compound Name |
2-[3,5-bis(trifluoromethyl)benzoyl]-1'-(2,2-dimethylpropanoyl)-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 |
C30H29F6N3O4
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| Molecular Weight |
609.567
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| Canonical SMILES |
CC(C)(C)C(=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/C30H29F6N3O4/c1-27(2,3)26(43)37-11-9-28(10-12-37)22-21(24(41)39(25(22)42)20-7-5-4-6-8-20)16-38(28)23(40)17-13-18(29(31,32)33)15-19(14-17)30(34,35)36/h4-8,13-15,21-22H,9-12,16H2,1-3H3
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| InChIKey |
GBYYDRYAGWDMGR-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