Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)NC1(C#Cc2c[nH]cn2)CC1 |
MW: | 267.11 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 82.7 |
cLogP: | 1.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - RapidFire: | 44.5351836735718 |
Order Status | |
Shipped: | 2020-07-29 |
triple bond
MAT-POS-13203bf4-1
0.658
CHR-SOS-54d5cf3e-6
0.556
DAR-DIA-842b4336-2
0.411
NAU-LAT-445f63e5-6
0.400
CHR-SOS-6c45c019-10
0.391
CHR-SOS-6c45c019-16
0.386
AAR-POS-d2a4d1df-11
0.386
CHR-SOS-6c45c019-11
0.384
CHR-SOS-b301fc01-4
0.366
ALE-HEI-f28a35b5-8
0.364
CHR-SOS-b301fc01-1
0.363
CHR-SOS-54d5cf3e-7
0.363
DAR-DIA-842b4336-9
0.362
BAR-COM-5694a99d-5
0.360
CHR-SOS-b301fc01-7
0.359
CHR-SOS-54d5cf3e-5
0.358
MAK-UNK-d1e89583-1
0.355
DAR-DIA-842b4336-7
0.354
CHR-SOS-6c45c019-7
0.352
ALE-HEI-f28a35b5-15
0.351
CHR-SOS-54d5cf3e-8
0.351
JOH-UNK-14e6adc5-2
0.351
ANN-UNI-26382800-3
0.351
TAM-UNI-c140e31a-19
0.349
WIL-UNI-5578df48-15
0.349
CHR-SOS-6c45c019-15
0.348
CHR-SOS-b301fc01-6
0.348
DAR-DIA-842b4336-1
0.347
MAK-UNK-d1e89583-4
0.346
CHR-SOS-6c45c019-8
0.344
CHR-SOS-6c45c019-4
0.344
WAR-XCH-e55cba98-13
0.343
WAR-XCH-eb7b662f-3
0.342
DAR-DIA-842b4336-6
0.341
MAK-UNK-d1e89583-5
0.341
MAK-UNK-d1e89583-6
0.341
SAD-SAT-689b7d5a-9
0.341
CHR-SOS-6c45c019-12
0.341
MAK-UNK-30aad1f1-12
0.341
CHR-SOS-6c45c019-14
0.340
DAR-DIA-23aa0b97-15
0.338
MAR-TRE-2fd8122f-27
0.338
DAR-DIA-842b4336-5
0.338
DAR-DIA-842b4336-11
0.338
DAR-DIA-842b4336-8
0.338
FRA-FAC-9ed5a63a-3
0.338
CHR-SOS-363cfb78-1
0.338
MAK-UNK-d1e89583-3
0.337
MAR-TRE-2fd8122f-18
0.337
CHR-SOS-b301fc01-2
0.337
CHR-SOS-6c45c019-5
0.337
CHR-SOS-6c45c019-1
0.337
JOR-UNI-61e7b1d5-2
0.333
ANN-UNI-26382800-4
0.333
WAR-XCH-eb7b662f-1
0.333
DAR-DIA-23aa0b97-14
0.333
JAN-GHE-83b26c96-19
0.333
WAR-XCH-eb7b662f-7
0.333
JOR-UNI-2fc98d0b-7
0.333
DAR-DIA-842b4336-3
0.333
DAR-DIA-842b4336-4
0.333
WAR-XCH-eb7b662f-6
0.333
CHR-SOS-54d5cf3e-4
0.333
ALE-HEI-f28a35b5-16
0.333
CHR-SOS-6c45c019-13
0.333
MAK-UNK-a7b37c5e-5
0.333
MAR-TRE-67513f76-81
0.333
DAR-DIA-23aa0b97-5
0.333
CHR-SOS-b301fc01-3
0.333
WIL-UNI-5578df48-2
0.333
CHR-SOS-6c45c019-2
0.330
BAR-COM-5694a99d-1
0.330
MAK-UNK-30aad1f1-14
0.330
MAK-UNK-d1e89583-7
0.329
SAN-PRS-52b81272-2
0.329
MAK-UNK-ca11b4f7-3
0.329
MAK-UNK-ca11b4f7-2
0.329
CHR-SOS-54d5cf3e-2
0.326
MAK-UNK-30aad1f1-8
0.326
CHR-SOS-b301fc01-5
0.326
MAK-UNK-10dfa458-16
0.326
CHR-SOS-59746812-1
0.326
SAD-SAT-cefd50cc-1
0.325
MAK-UNK-d1e89583-2
0.325
JOH-IMS-62aeb97d-1
0.325
ALE-HEI-f28a35b5-4
0.325
SAD-SAT-24589cd1-4
0.325
JOH-IMS-62aeb97d-5
0.324
MAK-UNK-ca11b4f7-1
0.324
WIL-UNI-5578df48-31
0.323
BAR-COM-5694a99d-4
0.322
CHR-SOS-59746812-5
0.322
WAR-XCH-eb7b662f-2
0.321
FRA-FAC-9ed5a63a-4
0.321
WIL-UNI-5578df48-21
0.321
WAR-XCH-eb7b662f-4
0.321
MED-UNK-e6e8ef8a-6
0.321
MAK-UNK-a7b37c5e-4
0.321
BAR-COM-21d20d65-7
0.319
BAR-COM-21d20d65-4
0.319