General Information of the Compound
| Compound ID |
CP0842622
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| Compound Name |
(1S,2S,3R,4R)-3-{6-Chloro-2-[2-methoxy-4-(4-methyl-piperazin-1-ylmethyl)-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 |
C27H32ClN7O2
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| Molecular Weight |
522.053
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| Canonical SMILES |
COc1cc(CN2CCN(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/C27H32ClN7O2/c1-34-7-9-35(10-8-34)14-15-3-6-18(20(11-15)37-2)26-32-24-23(19(28)13-30-27(24)33-26)31-22-17-5-4-16(12-17)21(22)25(29)36/h3-6,11,13,16-17,21-22H,7-10,12,14H2,1-2H3,(H2,29,36)(H2,30,31,32,33)/t16-,17+,21+,22-/m1/s1
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| InChIKey |
CAIAMTHZGVFCNA-XKPGHWPRSA-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