General Information of the Compound
| Compound ID |
CP0315865
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| Compound Name |
1-(Methylsulfonyl)-N-[4-(pyridin-3-yl)phenyl]-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C25H26N4O3S
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| Molecular Weight |
462.575
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-c2cccnc2)c2ccccc12
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| InChI |
InChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(22-6-2-3-7-23(22)29)12-15-28(16-13-25)24(30)27-21-10-8-19(9-11-21)20-5-4-14-26-17-20/h2-11,14,17H,12-13,15-16,18H2,1H3,(H,27,30)
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| InChIKey |
YFVXIRYDRAPMQX-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