General Information of the Compound
| Compound ID |
CP0450869
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| Compound Name |
[2-(7-methyl-1H-indazol-5-yl)-1-[4-(piperidin-1-ylmethyl)pyridin-2-yl]ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C36H40N6O3
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| Molecular Weight |
604.755
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCCC3)ccn2)cc2cn[nH]c12
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| InChI |
InChI=1S/C36H40N6O3/c1-24-17-26(18-29-22-38-40-34(24)29)20-33(32-19-25(9-12-37-32)23-41-13-5-2-6-14-41)45-36(44)42-15-10-27(11-16-42)30-21-28-7-3-4-8-31(28)39-35(30)43/h3-4,7-9,12,17-19,21-22,27,33H,2,5-6,10-11,13-16,20,23H2,1H3,(H,38,40)(H,39,43)
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| InChIKey |
NPXGBPQLUUMPJK-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