General Information of the Compound
| Compound ID |
CP0970491
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| Compound Name |
3-((4-Cyclohexylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)-1H-tetrazol-5-yl)methyl)-6,7-dimethoxyquinolin-2(1H)-one
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| Structure |
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| Formula |
C29H36N8O3
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| Molecular Weight |
544.66
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| Canonical SMILES |
COc1cc2cc(C(c3nnnn3Cc3ccncc3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2cc1OC
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| InChI |
InChI=1S/C29H36N8O3/c1-39-25-17-21-16-23(29(38)31-24(21)18-26(25)40-2)27(28-32-33-34-37(28)19-20-8-10-30-11-9-20)36-14-12-35(13-15-36)22-6-4-3-5-7-22/h8-11,16-18,22,27H,3-7,12-15,19H2,1-2H3,(H,31,38)
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| InChIKey |
RBPPZQRZXRVHDR-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