General Information of the Compound
| Compound ID |
CP0242928
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| Compound Name |
N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
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| Structure |
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| Formula |
C25H19N5O4
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| Molecular Weight |
453.458
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| Canonical SMILES |
NC(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)=Nc1nc2ccccc2o1
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| InChI |
InChI=1S/C25H19N5O4/c26-24(29-25-27-18-12-6-7-13-20(18)34-25)28-21(31)19(14-15-8-2-1-3-9-15)30-22(32)16-10-4-5-11-17(16)23(30)33/h1-13,19H,14H2,(H3,26,27,28,29,31)
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| InChIKey |
DHIFDKNHQLDJRO-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