Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CC#N |
MW: | 175.07 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 65.78 |
cLogP: | 1.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | s_22____3391102____8794444 |
Mcule: | MCULE-8297534553 |
Mcule Ultimate: | WATZTSGALSEMMQ-UHFFFAOYSA-N |
MolPort: | MolPort-011-131-440 |
AAR-POS-d2a4d1df-2
MAK-UNK-6ca90168-26
0.638
MAT-POS-590ac91e-15
0.579
MAK-UNK-6435e6c2-8
0.578
AAR-POS-d2a4d1df-3
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ALE-HEI-f28a35b5-12
0.566
MAT-POS-590ac91e-11
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JAN-GHE-83b26c96-11
0.545
TRY-UNI-714a760b-5
0.545
MIH-UNI-6b9ca91a-1
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BEN-DND-93268d01-13
0.542
PET-SGC-6e7c5dc0-1
0.536
MAT-POS-590ac91e-6
0.536
MAT-POS-590ac91e-14
0.533
TRY-UNI-2eddb1ff-1
0.532
MAT-POS-590ac91e-7
0.526
MAT-POS-590ac91e-9
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ANN-UNI-98d2bf15-1
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BEN-DND-93268d01-8
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MAT-POS-590ac91e-17
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JOH-UNI-abfda500-6
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EDJ-MED-3c65e9ce-1
0.525
BEN-DND-22e6b372-2
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TRY-UNI-714a760b-20
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MAK-UNK-6ca90168-27
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TRY-UNI-714a760b-10
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GAB-REV-70cc3ca5-21
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ALE-HEI-f28a35b5-3
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ALE-HEI-f28a35b5-6
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BEN-DND-09b88bf4-5
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BEN-DND-93268d01-9
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BEN-DND-93268d01-11
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MAT-POS-590ac91e-23
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EDG-MED-0da5ad92-4
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GAB-REV-70cc3ca5-20
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ALP-POS-95b75b4d-2
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ERI-UCB-5b47150d-1
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MAT-POS-590ac91e-2
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MAT-POS-590ac91e-1
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ALE-HEI-f28a35b5-13
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MAT-POS-590ac91e-10
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BEN-DND-93268d01-10
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MAT-POS-590ac91e-24
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EDJ-MED-c9f55a56-1
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ALE-HEI-f28a35b5-10
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BEN-DND-22e6b372-4
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TRY-UNI-714a760b-4
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EDG-MED-0da5ad92-8
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ALE-HEI-f28a35b5-1
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TRY-UNI-2eddb1ff-2
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BEN-DND-22e6b372-3
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BEN-DND-93268d01-7
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BEN-DND-93268d01-5
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TRY-UNI-714a760b-6
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JAN-GHE-83b26c96-13
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EDJ-MED-e58735b6-2
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EDJ-MED-3c65e9ce-4
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ERI-UCB-5b47150d-4
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GAB-REV-70cc3ca5-19
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PET-SGC-175e168c-1
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TRY-UNI-1fd04853-1
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PED-UNI-292b67d6-1
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ANN-UNI-98d2bf15-2
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DAR-DIA-0cde14eb-76
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ALP-POS-95b75b4d-3
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JAN-GHE-83b26c96-14
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MAK-UNK-372b0df5-3
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BEN-DND-93268d01-4
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ALP-POS-95b75b4d-1
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JAN-GHE-83b26c96-12
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MAT-POS-590ac91e-26
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MAT-POS-590ac91e-13
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DAR-DIA-0cde14eb-74
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BEN-DND-6de5dfa0-5
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GAB-REV-70cc3ca5-13
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EDG-MED-0da5ad92-9
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CHR-SOS-363cfb78-2
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BEN-DND-09b88bf4-3
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NAU-LAT-3f5f3993-5
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BEN-DND-6de5dfa0-3
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MAT-POS-590ac91e-5
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MAT-POS-5d20d11c-1
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MAT-POS-590ac91e-16
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DAR-DIA-0cde14eb-14
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THO-SYG-cc9e9a11-2
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DAR-DIA-0cde14eb-77
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RAL-THA-6b94ceba-6
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GAB-REV-70cc3ca5-3
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EDJ-MED-e58735b6-3
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BEN-DND-6de5dfa0-6
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DAR-DIA-0cde14eb-79
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BEN-DND-03406596-7
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TRY-UNI-714a760b-24
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BEN-DND-6de5dfa0-4
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BEN-DND-09b88bf4-4
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BEN-DND-09b88bf4-2
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BEN-DND-6de5dfa0-1
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NIR-THE-b7e8e081-1
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EDJ-MED-e58735b6-1
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MAT-POS-590ac91e-25
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