General Information of the Compound
| Compound ID |
CP0517281
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| Compound Name |
[1-[4-(azepan-1-ylmethyl)pyridin-2-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 |
C37H42N6O3
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| Molecular Weight |
618.782
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCCCC3)ccn2)cc2cn[nH]c12
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| InChI |
InChI=1S/C37H42N6O3/c1-25-18-27(19-30-23-39-41-35(25)30)21-34(33-20-26(10-13-38-33)24-42-14-6-2-3-7-15-42)46-37(45)43-16-11-28(12-17-43)31-22-29-8-4-5-9-32(29)40-36(31)44/h4-5,8-10,13,18-20,22-23,28,34H,2-3,6-7,11-12,14-17,21,24H2,1H3,(H,39,41)(H,40,44)
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| InChIKey |
OATCGYGVXJZTCA-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