General Information of the Compound
| Compound ID |
CP0946695
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| Compound Name |
(S)-N-(1-((1H-tetrazol-5-yl)methylamino)-1-oxo-5-(piperidin-1-yl)pentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C29H41N9O4
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| Molecular Weight |
579.706
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NCc2nnn[nH]2)nn1C1CCCC1
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| InChI |
InChI=1S/C29H41N9O4/c1-41-24-11-8-12-25(42-2)28(24)23-18-22(34-38(23)21-9-4-5-10-21)29(40)31-20(13-16-37-14-6-3-7-15-37)17-27(39)30-19-26-32-35-36-33-26/h8,11-12,18,20-21H,3-7,9-10,13-17,19H2,1-2H3,(H,30,39)(H,31,40)(H,32,33,35,36)/t20-/m0/s1
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| InChIKey |
VELNVMWISOKLLJ-FQEVSTJZSA-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