General Information of the Compound
| Compound ID |
CP0400341
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| Compound Name |
[2-(7-methyl-1H-indazol-5-yl)-1-[4-(pyrrolidin-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 |
C35H38N6O3
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| Molecular Weight |
590.728
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCC3)ccn2)cc2cn[nH]c12
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| InChI |
InChI=1S/C35H38N6O3/c1-23-16-25(17-28-21-37-39-33(23)28)19-32(31-18-24(8-11-36-31)22-40-12-4-5-13-40)44-35(43)41-14-9-26(10-15-41)29-20-27-6-2-3-7-30(27)38-34(29)42/h2-3,6-8,11,16-18,20-21,26,32H,4-5,9-10,12-15,19,22H2,1H3,(H,37,39)(H,38,42)
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| InChIKey |
ZKPMAYYRIVMNLD-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