General Information of the Compound
| Compound ID |
CP0407924
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| Compound Name |
(2S)-2-(6-butyl-2-(1H-imidazol-1-yl)pyrimidin-4-ylamino)-N-(3-ethoxypropyl)-4-methylpentanamide
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| Structure |
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| Formula |
C22H36N6O2
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| Molecular Weight |
416.57
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| Canonical SMILES |
CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1ccnc1
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| InChI |
InChI=1S/C22H36N6O2/c1-5-7-9-18-15-20(27-22(25-18)28-12-11-23-16-28)26-19(14-17(3)4)21(29)24-10-8-13-30-6-2/h11-12,15-17,19H,5-10,13-14H2,1-4H3,(H,24,29)(H,25,26,27)/t19-/m0/s1
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| InChIKey |
KRGHLRHSKTUTEW-IBGZPJMESA-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