General Information of the Compound
| Compound ID |
CP0538868
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| Compound Name |
(S)-1-methyl-N-(7-oxo-1-(5-(quinolin-2-yl)-1H-imidazol-2-yl)nonyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C28H37N5O2
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| Molecular Weight |
475.637
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1nc(c[nH]1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C28H37N5O2/c1-3-22(34)10-5-4-6-12-25(32-28(35)21-15-17-33(2)18-16-21)27-29-19-26(31-27)24-14-13-20-9-7-8-11-23(20)30-24/h7-9,11,13-14,19,21,25H,3-6,10,12,15-18H2,1-2H3,(H,29,31)(H,32,35)/t25-/m0/s1
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| InChIKey |
SELGXBNMBHOLEF-VWLOTQADSA-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