General Information of the Compound
| Compound ID |
CP0555801
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| Compound Name |
N-(1,3-benzothiazol-2-yl)-1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
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| Structure |
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| Formula |
C24H24N4O4S2
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| Molecular Weight |
496.614
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| Canonical SMILES |
O=C(N(CCc1ccccc1)c1nc2ccccc2s1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1
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| InChI |
InChI=1S/C24H24N4O4S2/c29-22-11-10-20(26-28(22)18-13-15-34(31,32)16-18)23(30)27(14-12-17-6-2-1-3-7-17)24-25-19-8-4-5-9-21(19)33-24/h1-9,18H,10-16H2/t18-/m0/s1
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| InChIKey |
VGYXWENTJOMFCZ-SFHVURJKSA-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