General Information of the Compound
| Compound ID |
CP0462721
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| Compound Name |
US8754233, 4-(5-Amino-4-benzothiazol-2-yl-1H-pyrazol-3-ylamino)-butyric acid
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| Structure |
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| Formula |
C14H15N5O2S
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| Molecular Weight |
317.374
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| Canonical SMILES |
Nc1n[nH]c(NCCCC(O)=O)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C14H15N5O2S/c15-12-11(13(19-18-12)16-7-3-6-10(20)21)14-17-8-4-1-2-5-9(8)22-14/h1-2,4-5H,3,6-7H2,(H,20,21)(H4,15,16,18,19)
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| InChIKey |
JWZHKEQCGDRXBD-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