General Information of the Compound
| Compound ID |
CP0528174
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| Compound Name |
N-(1-benzylpiperidin-4-yl)-4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)benzenesulfonamide
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| Structure |
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| Formula |
C26H29N5O4S
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| Molecular Weight |
507.616
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| Canonical SMILES |
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C26H29N5O4S/c1-29-23-16-22(27-24(23)25(32)30(2)26(29)33)19-8-10-21(11-9-19)36(34,35)28-20-12-14-31(15-13-20)17-18-6-4-3-5-7-18/h3-11,16,20,27-28H,12-15,17H2,1-2H3
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| InChIKey |
HJNBLTDLLWYNHG-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