General Information of the Compound
| Compound ID |
CP0713299
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| Compound Name |
N-(3a,7a-dihydro-1H-indazol-5-yl)-4-(pyridin-4-ylmethylamino)isothiazole-3-carboxamide
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| Structure |
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| Formula |
C17H16N6OS
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| Molecular Weight |
352.423
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| Canonical SMILES |
O=C(NC1=CC2C=NNC2C=C1)c1nscc1NCc1ccncc1
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| InChI |
InChI=1S/C17H16N6OS/c24-17(21-13-1-2-14-12(7-13)9-20-22-14)16-15(10-25-23-16)19-8-11-3-5-18-6-4-11/h1-7,9-10,12,14,19,22H,8H2,(H,21,24)
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| InChIKey |
IYKXHDUZUCAQKC-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