General Information of the Compound
| Compound ID |
CP0513323
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| Compound Name |
[4-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
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| Structure |
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| Formula |
C23H31N3O3S
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| Molecular Weight |
429.586
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nc(C)c(s1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C23H31N3O3S/c1-17-5-3-10-25(17)11-4-14-29-20-8-6-19(7-9-20)22-24-18(2)21(30-22)23(27)26-12-15-28-16-13-26/h6-9,17H,3-5,10-16H2,1-2H3/t17-/m1/s1
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| InChIKey |
OIPZVNOEURHNRX-QGZVFWFLSA-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