General Information of the Compound
| Compound ID |
CP0485748
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| Compound Name |
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide
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| Structure |
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| Formula |
C27H30F2N4O4
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| Molecular Weight |
512.557
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| Canonical SMILES |
C[C@@H](N(CC(=O)Nc1ccc2C[C@@]3(Cc2c1)N(C)C(=O)NC3=O)C(=O)C(C)(C)C)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C27H30F2N4O4/c1-15(17-8-19(28)11-20(29)9-17)33(24(36)26(2,3)4)14-22(34)30-21-7-6-16-12-27(13-18(16)10-21)23(35)31-25(37)32(27)5/h6-11,15H,12-14H2,1-5H3,(H,30,34)(H,31,35,37)/t15-,27+/m1/s1
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| InChIKey |
FANGZAFTWQLKPE-RXAIFQJESA-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
Protein ID: PT01670, Calcitonin gene-related peptide type 1 receptor
Protein ID: PT01379, Dual specificity mitogen-activated protein kinase kinase 2