General Information of the Compound
| Compound ID |
CP0257245
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| Compound Name |
N-[2-amino-5-(4-methylthiophen-2-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C24H25N5O3S
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| Molecular Weight |
463.563
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| Canonical SMILES |
Cc1csc(c1)-c1ccc(N)c(NC(=O)c2ccc(nc2)N2CCC3(CNC(=O)O3)CC2)c1
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| InChI |
InChI=1S/C24H25N5O3S/c1-15-10-20(33-13-15)16-2-4-18(25)19(11-16)28-22(30)17-3-5-21(26-12-17)29-8-6-24(7-9-29)14-27-23(31)32-24/h2-5,10-13H,6-9,14,25H2,1H3,(H,27,31)(H,28,30)
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| InChIKey |
JVHSVVSSADEQAX-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