General Information of the Compound
| Compound ID |
CP0769350
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| Compound Name |
(1S,2S,3R,4R)-3-[6-Chloro-2-(2-methoxy-4-morpholin-4-yl-phenyl)-3H-imidazo[4,5-b]pyridin-7-ylamino]-bicyclo[2.2.1]hept-5-ene-2-carboxylicacidamide
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| Structure |
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| Formula |
C25H27ClN6O3
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| Molecular Weight |
494.983
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| Canonical SMILES |
COc1cc(N2CCOCC2)ccc1-c1nc2c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c(Cl)cnc2[nH]1
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| InChI |
InChI=1S/C25H27ClN6O3/c1-34-18-11-15(32-6-8-35-9-7-32)4-5-16(18)24-30-22-21(17(26)12-28-25(22)31-24)29-20-14-3-2-13(10-14)19(20)23(27)33/h2-5,11-14,19-20H,6-10H2,1H3,(H2,27,33)(H2,28,29,30,31)/t13-,14+,19+,20-/m1/s1
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| InChIKey |
ILSYFQQNAQIMBK-BBNYVJOESA-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