General Information of the Compound
| Compound ID |
CP0058998
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| Compound Name |
1-(cyclopropylmethyl)-4-[2-[(1,1-dioxothian-4-yl)methylamino]-1,3-benzothiazol-6-yl]pyridin-2-one
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| Structure |
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| Formula |
C22H25N3O3S2
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| Molecular Weight |
443.594
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| Canonical SMILES |
O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCS(=O)(=O)CC3)sc2c1
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| InChI |
InChI=1S/C22H25N3O3S2/c26-21-12-18(5-8-25(21)14-16-1-2-16)17-3-4-19-20(11-17)29-22(24-19)23-13-15-6-9-30(27,28)10-7-15/h3-5,8,11-12,15-16H,1-2,6-7,9-10,13-14H2,(H,23,24)
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| InChIKey |
WYCWXWHOPSRYNV-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