General Information of the Compound
| Compound ID |
CP0459600
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| Compound Name |
2-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridazin-3-one
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| Structure |
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| Formula |
C20H23N5OS
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| Molecular Weight |
381.505
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| Canonical SMILES |
O=c1cccnn1-c1ccc2nc(sc2c1)N1CC[C@H](C1)N1CCCCC1
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| InChI |
InChI=1S/C20H23N5OS/c26-19-5-4-9-21-25(19)15-6-7-17-18(13-15)27-20(22-17)24-12-8-16(14-24)23-10-2-1-3-11-23/h4-7,9,13,16H,1-3,8,10-12,14H2/t16-/m1/s1
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| InChIKey |
WMEBAKGEWNSXBC-MRXNPFEDSA-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