General Information of the Compound
| Compound ID |
CP0576273
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| Compound Name |
N,N-diethyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzamide
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| Structure |
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| Formula |
C25H25N5O3S
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| Molecular Weight |
475.574
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C25H25N5O3S/c1-3-30(4-2)25(31)18-11-9-17(10-12-18)23-21-7-5-6-8-22(21)24(29-28-23)27-19-13-15-20(16-14-19)34(26,32)33/h5-16H,3-4H2,1-2H3,(H,27,29)(H2,26,32,33)
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| InChIKey |
VBSKWWLMUCPUAW-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