General Information of the Compound
| Compound ID |
CP0127627
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| Compound Name |
2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(4-pyrazol-1-ylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
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| Structure |
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| Formula |
C25H28N6OS
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| Molecular Weight |
460.607
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| Canonical SMILES |
Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-n5cccn5)C4)CC3)nc2s1
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| InChI |
InChI=1S/C25H28N6OS/c1-19-14-30-16-21(27-24(30)33-19)13-23(32)29-11-7-25(8-12-29)17-28(18-25)15-20-3-5-22(6-4-20)31-10-2-9-26-31/h2-6,9-10,14,16H,7-8,11-13,15,17-18H2,1H3
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| InChIKey |
NVNIXSSBXHXXSY-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