General Information of the Compound
| Compound ID |
CP0571239
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(1-oxidopyridin-1-ium-2-yl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C28H40N6O3
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| Molecular Weight |
508.667
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| Canonical SMILES |
[O-][n+]1ccccc1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C28H40N6O3/c35-27(29-21-9-8-10-21)19-22(14-18-32-15-5-1-6-16-32)30-28(36)24-20-26(25-13-4-7-17-33(25)37)34(31-24)23-11-2-3-12-23/h4,7,13,17,20-23H,1-3,5-6,8-12,14-16,18-19H2,(H,29,35)(H,30,36)/t22-/m0/s1
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| InChIKey |
VODACIQFDKLRRB-QFIPXVFZSA-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