General Information of the Compound
| Compound ID |
CP0351018
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| Compound Name |
4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
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| Structure |
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| Formula |
C32H34N4O2
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| Molecular Weight |
506.65
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| Canonical SMILES |
Cc1nn(-c2ccc(cc2)C(=O)N[C@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12
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| InChI |
InChI=1S/C32H34N4O2/c1-22-27-9-3-4-10-29(27)32(38)36(34-22)26-15-13-24(14-16-26)31(37)33-30-11-7-8-25-20-23(12-17-28(25)30)21-35-18-5-2-6-19-35/h3-4,9-10,12-17,20,30H,2,5-8,11,18-19,21H2,1H3,(H,33,37)/t30-/m0/s1
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| InChIKey |
NOMAJLSWAKZQQU-PMERELPUSA-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