General Information of the Compound
| Compound ID |
CP0506577
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| Compound Name |
3-{[4-(6-Methoxy-pyridazin-3-yl)-benzoyl]-methyl-amino}-pyrrolidine-1-carboxylic acid [1-(4,4-dimethyl-cyclohexyl)-pyrrolidin-3-yl]-methyl-amide
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| Structure |
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| Formula |
C31H44N6O3
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| Molecular Weight |
548.732
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| Canonical SMILES |
COc1ccc(nn1)-c1ccc(cc1)C(=O)N(C)C1CCN(C1)C(=O)N(C)C1CCN(C1)C1CCC(C)(C)CC1
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| InChI |
InChI=1S/C31H44N6O3/c1-31(2)16-12-24(13-17-31)36-18-14-26(20-36)35(4)30(39)37-19-15-25(21-37)34(3)29(38)23-8-6-22(7-9-23)27-10-11-28(40-5)33-32-27/h6-11,24-26H,12-21H2,1-5H3
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| InChIKey |
DHPBRSFFIAFGAK-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