General Information of the Compound
| Compound ID |
CP0659262
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| Compound Name |
(1S,2S,3R,4R)-3-{6-Chloro-2-[2-methoxy-4-(4-morpholin-4-yl-piperidin-1-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 |
C30H36ClN7O3
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| Molecular Weight |
578.117
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| Canonical SMILES |
COc1cc(N2CCC(N3CCOCC3)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/C30H36ClN7O3/c1-40-23-15-20(37-8-6-19(7-9-37)38-10-12-41-13-11-38)4-5-21(23)29-35-27-26(22(31)16-33-30(27)36-29)34-25-18-3-2-17(14-18)24(25)28(32)39/h2-5,15-19,24-25H,6-14H2,1H3,(H2,32,39)(H2,33,34,35,36)/t17-,18+,24+,25-/m1/s1
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| InChIKey |
ADYZVNMLQOHYDE-BAYWULLTSA-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