General Information of the Compound
| Compound ID |
CP0842621
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| Compound Name |
(1S,2S,3R,4R)-3-[6-Chloro-2-(2-methoxy-4-morpholin-4-ylmethyl-phenyl)-3Himidazo[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 |
C26H29ClN6O3
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| Molecular Weight |
509.01
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| Canonical SMILES |
COc1cc(CN2CCOCC2)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/C26H29ClN6O3/c1-35-19-10-14(13-33-6-8-36-9-7-33)2-5-17(19)25-31-23-22(18(27)12-29-26(23)32-25)30-21-16-4-3-15(11-16)20(21)24(28)34/h2-5,10,12,15-16,20-21H,6-9,11,13H2,1H3,(H2,28,34)(H2,29,30,31,32)/t15-,16+,20+,21-/m1/s1
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| InChIKey |
QXOZRBMOILEYGU-QMKUDKLTSA-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