General Information of the Compound
| Compound ID |
CP0548350
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| Compound Name |
N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(1-methylpiperidin-4-yl)amino]propanamide
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| Structure |
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| Formula |
C25H37N7O4
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| Molecular Weight |
499.616
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nnn(CC(=O)N(C(C)C(=O)NC2CCCC2)C2CCN(C)CC2)n1
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| InChI |
InChI=1S/C25H37N7O4/c1-17(25(34)26-19-7-5-6-8-19)32(20-11-13-30(2)14-12-20)23(33)16-31-28-24(27-29-31)18-9-10-21(35-3)22(15-18)36-4/h9-10,15,17,19-20H,5-8,11-14,16H2,1-4H3,(H,26,34)
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| InChIKey |
JOHRUZMWXSGEOI-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