Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1nncs1 |
MW: | 253.01 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 54.88 |
cLogP: | 2.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1079615644 |
Enamine Extended REAL: | s_22____998706____3020518 |
Mcule Ultimate: | DKVAXQGRMWRKTF-UHFFFAOYSA-N |
MolPort: | MolPort-047-549-553 |
Activity Data | |
Average Inhibition @ 20 µM - Fluorescence: | -9.944688 |
Average Inhibition @ 50 µM - Fluorescence: | -3.049 |
Relative Solubility @ 20 µM: | 1.0 |
Relative Solubility @ 100 µM: | 0.78 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-24 |
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JAN-GHE-5a013bed-7
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JAG-UCB-cedd89ab-3
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NAU-LAT-e1818702-7
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MAT-POS-bb423b95-6
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ALP-POS-3b848b35-3
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ALP-POS-90e38439-2
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NAU-LAT-a5c7d7cb-11
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MAT-POS-e1b5ac6b-1
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JOH-UNI-6fede743-4
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ALP-POS-0c2c77e1-1
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MAT-POS-bb423b95-3
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EDJ-MED-c8e7a002-14
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MIC-UNK-fc94cdb5-1
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MIC-UNK-42806bd5-2
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ALP-POS-8b8a49e1-5
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ALP-POS-90e38439-3
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