General Information of the Compound
| Compound ID |
CP0394366
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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)-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C27H31N5O4S
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| Molecular Weight |
521.643
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| Canonical SMILES |
CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C27H31N5O4S/c1-29-24-17-23(28-25(24)26(33)30(2)27(29)34)20-9-11-22(12-10-20)37(35,36)31(3)21-13-15-32(16-14-21)18-19-7-5-4-6-8-19/h4-12,17,21,28H,13-16,18H2,1-3H3
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| InChIKey |
QPCPYQIVVUXWAO-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