General Information of the Compound
| Compound ID |
CP0455807
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| Compound Name |
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(3-phenyl-1,2-thiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one
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| Structure |
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| Formula |
C28H29N3O4S
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| Molecular Weight |
503.624
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2cc(ns2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C28H29N3O4S/c1-18-20(7-8-21-22(18)17-35-26(21)33)24(32)16-30-12-9-28(10-13-30)11-14-31(27(28)34)25-15-23(29-36-25)19-5-3-2-4-6-19/h2-8,15,24,32H,9-14,16-17H2,1H3/t24-/m0/s1
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| InChIKey |
CIHRMKSTNVZPFD-DEOSSOPVSA-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
Protein ID: PT03667, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2