General Information of the Compound
| Compound ID |
CP0931327
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| Compound Name |
(S)-N-(1-(5-(isoquinolin-3-yl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylpiperidine-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)c1ncc(-c2cc3ccccc3cn2)[nH]1
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| InChI |
InChI=1S/C28H37N5O2/c1-3-23(34)11-5-4-6-12-24(32-28(35)20-13-15-33(2)16-14-20)27-30-19-26(31-27)25-17-21-9-7-8-10-22(21)18-29-25/h7-10,17-20,24H,3-6,11-16H2,1-2H3,(H,30,31)(H,32,35)/t24-/m0/s1
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| InChIKey |
XFPCQUJCGBXIIE-DEOSSOPVSA-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