General Information of the Compound
| Compound ID |
CP0489449
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| Compound Name |
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide
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| Synonyms |
PMID27788040-Compound-5a
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| Structure |
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| Formula |
C30H44N4O2
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| Molecular Weight |
492.708
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| Canonical SMILES |
CN1CCN(CC1)C1(CN(Cc2cc3ccccc3n(C)c2=O)C(=O)C2CCCCC2)CCCCC1
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| InChI |
InChI=1S/C30H44N4O2/c1-31-17-19-34(20-18-31)30(15-9-4-10-16-30)23-33(29(36)24-11-5-3-6-12-24)22-26-21-25-13-7-8-14-27(25)32(2)28(26)35/h7-8,13-14,21,24H,3-6,9-12,15-20,22-23H2,1-2H3
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| InChIKey |
PJVMTTZJMVQBDL-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
Clinical Information about the Compound
Drug 1 ( PMID27788040-Compound-5a )
| Drug Name | PMID27788040-Compound-5a | ||
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| Company | MERCK SHARP & DOHME CORP. BARROW, James, C. BILODEAU, Mark, T. COX, Christopher, D. HARTNETT, John, C. KETT, Nathan, R. LI, Yiwei MANLEY, Peter MELAMED, Jeffrey SHIPE, William, D. TROTTER, B. Wesley ZARTMAN, Amy, E | ||
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