General Information of the Compound
| Compound ID |
CP0463852
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| Compound Name |
N-(2-amino-5-thiophen-2-ylphenyl)-6-[2-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C26H31N5O2S
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| Molecular Weight |
477.634
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| Canonical SMILES |
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CCO)C2)CC1)-c1cccs1
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| InChI |
InChI=1S/C26H31N5O2S/c27-21-5-3-19(23-2-1-15-34-23)16-22(21)29-25(33)20-4-6-24(28-17-20)31-11-8-26(9-12-31)7-10-30(18-26)13-14-32/h1-6,15-17,32H,7-14,18,27H2,(H,29,33)
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| InChIKey |
JXONLPOCIBGKJY-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