General Information of the Compound
| Compound ID |
CP0659753
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| Compound Name |
(R)-1-(1-(1-(ethylsulfonyl)piperidin-4-yl)ethyl)-2-methyl-N-((6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl)-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C29H40N4O4S
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| Molecular Weight |
540.73
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| Canonical SMILES |
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(S(=O)(=O)CC)CC2)c2ccccc12
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| InChI |
InChI=1S/C29H40N4O4S/c1-6-10-23-17-19(3)31-28(34)25(23)18-30-29(35)27-21(5)33(26-12-9-8-11-24(26)27)20(4)22-13-15-32(16-14-22)38(36,37)7-2/h8-9,11-12,17,20,22H,6-7,10,13-16,18H2,1-5H3,(H,30,35)(H,31,34)/t20-/m1/s1
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| InChIKey |
WAGAGEBMDGMBPC-HXUWFJFHSA-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