General Information of the Compound
| Compound ID |
CP0762036
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| Compound Name |
(1S,2S,3R,4R)-3-(6-Chloro-2-{2-methoxy-4-[4-(4-methyl-piperazin-1-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 |
C31H39ClN8O2
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| Molecular Weight |
591.16
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(C)CC3)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/C31H39ClN8O2/c1-38-11-13-40(14-12-38)20-7-9-39(10-8-20)21-5-6-22(24(16-21)42-2)30-36-28-27(23(32)17-34-31(28)37-30)35-26-19-4-3-18(15-19)25(26)29(33)41/h3-6,16-20,25-26H,7-15H2,1-2H3,(H2,33,41)(H2,34,35,36,37)/t18-,19+,25+,26-/m1/s1
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| InChIKey |
ORFGUEWOGJKLFU-XOSANVASSA-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