General Information of the Compound
| Compound ID |
CP0481452
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| Compound Name |
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
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| Structure |
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| Formula |
C25H19N5O4S
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| Molecular Weight |
485.525
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccccc3s2)c2ccccc2c1=O
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| InChI |
InChI=1S/C25H19N5O4S/c1-34-16-12-10-15(11-13-16)30-24(33)18-7-3-2-6-17(18)22(29-30)23(32)26-14-21(31)28-25-27-19-8-4-5-9-20(19)35-25/h2-13H,14H2,1H3,(H,26,32)(H,27,28,31)
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| InChIKey |
WIQCGYVBMBZUFG-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
Protein ID: PT02397, Protein smoothened
Protein ID: PT04787, Protein-serine O-palmitoleoyltransferase porcupine