General Information of the Compound
| Compound ID |
CP0395547
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| Compound Name |
[2-(7-methyl-1H-indazol-5-yl)-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C31H33N7O3
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| Molecular Weight |
551.651
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2ncc3CNCCn23)cc2cn[nH]c12
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| InChI |
InChI=1S/C31H33N7O3/c1-19-12-20(13-23-16-34-36-28(19)23)14-27(29-33-18-24-17-32-8-11-38(24)29)41-31(40)37-9-6-21(7-10-37)25-15-22-4-2-3-5-26(22)35-30(25)39/h2-5,12-13,15-16,18,21,27,32H,6-11,14,17H2,1H3,(H,34,36)(H,35,39)
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| InChIKey |
STJBKZREPWJSHQ-UHFFFAOYSA-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