General Information of the Compound
| Compound ID |
CP0248154
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| Compound Name |
3-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-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(-c2cccc(c2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12
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| InChI |
InChI=1S/C32H34N4O2/c1-22-27-12-3-4-13-29(27)32(38)36(34-22)26-11-7-10-25(20-26)31(37)33-30-14-8-9-24-19-23(15-16-28(24)30)21-35-17-5-2-6-18-35/h3-4,7,10-13,15-16,19-20,30H,2,5-6,8-9,14,17-18,21H2,1H3,(H,33,37)/t30-/m1/s1
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| InChIKey |
DVLLTTXAMFTJSO-SSEXGKCCSA-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