General Information of the Compound
| Compound ID |
CP0131029
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| Compound Name |
4-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C18H16ClN5O3S
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| Molecular Weight |
417.878
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| Canonical SMILES |
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1COC1
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| InChI |
InChI=1S/C18H16ClN5O3S/c19-14-3-1-2-4-15(14)23-18(26)22-11-6-20-24(7-11)13-5-16(28-10-13)17(25)21-12-8-27-9-12/h1-7,10,12H,8-9H2,(H,21,25)(H2,22,23,26)
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| InChIKey |
FPVKFPPNOMNINZ-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