General Information of the Compound
| Compound ID |
CP0704533
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| Compound Name |
(1S,2S,3R,4R)-3-{6-Chloro-2-[2-methoxy-4-(4-methyl-piperazin-1-yl)-phenyl]-3Himidazo[4,5-b]pyridin-7-ylamino}-bicyclo[2.2.1]hept-5-ene-2-carboxylic
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| Structure |
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| Formula |
C26H30ClN7O2
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| Molecular Weight |
508.026
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| Canonical SMILES |
COc1cc(N2CCN(C)CC2)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/C26H30ClN7O2/c1-33-7-9-34(10-8-33)16-5-6-17(19(12-16)36-2)25-31-23-22(18(27)13-29-26(23)32-25)30-21-15-4-3-14(11-15)20(21)24(28)35/h3-6,12-15,20-21H,7-11H2,1-2H3,(H2,28,35)(H2,29,30,31,32)/t14-,15+,20+,21-/m1/s1
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| InChIKey |
MZGDIKYASHMRSG-UGCQDJOBSA-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