General Information of the Compound
| Compound ID |
CP0704531
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| Compound Name |
(1S,2S,3R,4R)-3-[6-Chloro-2-(2-methoxy-phenyl)-3H-imidazo[4,5-b]pyridine-7-ylamino]-bicyclo[2.2.1]hept-5-ene-2-carboxylicacidamide
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| Structure |
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| Formula |
C21H20ClN5O2
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| Molecular Weight |
409.877
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| Canonical SMILES |
COc1ccccc1-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/C21H20ClN5O2/c1-29-14-5-3-2-4-12(14)20-26-18-17(13(22)9-24-21(18)27-20)25-16-11-7-6-10(8-11)15(16)19(23)28/h2-7,9-11,15-16H,8H2,1H3,(H2,23,28)(H2,24,25,26,27)/t10-,11+,15+,16-/m1/s1
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| InChIKey |
ZLEPBLGJEZUDSL-LZJQFABFSA-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