General Information of the Compound
| Compound ID |
CP0447680
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| Compound Name |
(+/-)-N-(3-chlorobenzyl)-N-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imidazolidine-4,2'-indene]-5'-ylamino)-2-oxoethyl)pivalamide
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| Structure |
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| Formula |
C26H29ClN4O4
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| Molecular Weight |
496.995
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| Canonical SMILES |
CN1C(=O)NC(=O)C11Cc2ccc(NC(=O)CN(Cc3cccc(Cl)c3)C(=O)C(C)(C)C)cc2C1
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| InChI |
InChI=1S/C26H29ClN4O4/c1-25(2,3)23(34)31(14-16-6-5-7-19(27)10-16)15-21(32)28-20-9-8-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)
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| InChIKey |
IBIHYZWSUPCASV-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