General Information of the Compound
| Compound ID |
CP0469942
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| Compound Name |
(+/-)-N-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imidazolidine-4,2'-indene]-5'-ylamino)-2-oxoethyl)-N-(3-methylbenzyl)pivalamide
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| Structure |
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| Formula |
C27H32N4O4
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| Molecular Weight |
476.577
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| Canonical SMILES |
CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(C)c3)C(=O)C(C)(C)C)cc2C1
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| InChI |
InChI=1S/C27H32N4O4/c1-17-7-6-8-18(11-17)15-31(24(34)26(2,3)4)16-22(32)28-21-10-9-19-13-27(14-20(19)12-21)23(33)29-25(35)30(27)5/h6-12H,13-16H2,1-5H3,(H,28,32)(H,29,33,35)
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| InChIKey |
MFSKXJKTBJSIFM-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
Protein ID: PT01670, Calcitonin gene-related peptide type 1 receptor
Protein ID: PT01379, Dual specificity mitogen-activated protein kinase kinase 2