General Information of the Compound
| Compound ID |
CP0544741
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| Compound Name |
N-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
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| Structure |
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| Formula |
C18H19N5O3S
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| Molecular Weight |
385.449
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| Canonical SMILES |
NC(Nc1nc2ccccc2s1)=NC(=O)CN1C(=O)C2CCCCC2C1=O
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| InChI |
InChI=1S/C18H19N5O3S/c19-17(22-18-20-12-7-3-4-8-13(12)27-18)21-14(24)9-23-15(25)10-5-1-2-6-11(10)16(23)26/h3-4,7-8,10-11H,1-2,5-6,9H2,(H3,19,20,21,22,24)
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| InChIKey |
MIWQXYRPJRSUKA-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