General Information of the Compound
| Compound ID |
CP0547515
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| Compound Name |
(R)-1-(4-(5,6-dihydropyridin-1(2H)-yl)piperidin-1-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C36H42N6O4
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| Molecular Weight |
622.77
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| Canonical SMILES |
Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC=CC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C36H42N6O4/c1-24-19-25(20-28-23-37-39-33(24)28)21-32(35(44)41-17-11-29(12-18-41)40-13-5-2-6-14-40)46-36(45)42-15-9-26(10-16-42)30-22-27-7-3-4-8-31(27)38-34(30)43/h2-5,7-8,19-20,22-23,26,29,32H,6,9-18,21H2,1H3,(H,37,39)(H,38,43)/t32-/m1/s1
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| InChIKey |
OFQWTOOSUIGQBP-JGCGQSQUSA-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