General Information of the Compound
| Compound ID |
CP0533008
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| Compound Name |
[1-(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C38H39N7O3
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| Molecular Weight |
641.776
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2ncc3CN(Cc4ccccc4)CCn23)cc2cn[nH]c12
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| InChI |
InChI=1S/C38H39N7O3/c1-25-17-27(18-30-21-40-42-35(25)30)19-34(36-39-22-31-24-43(15-16-45(31)36)23-26-7-3-2-4-8-26)48-38(47)44-13-11-28(12-14-44)32-20-29-9-5-6-10-33(29)41-37(32)46/h2-10,17-18,20-22,28,34H,11-16,19,23-24H2,1H3,(H,40,42)(H,41,46)
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| InChIKey |
LPDDLBQEATVADM-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