Molecular Properties | |
SMILES: | O=C(CN(C(=O)Cc1cccnc1)c1ccc(-n2cnnc2)cc1)N1CCNCC1 |
MW: | 405.19 |
Fraction sp3: | 0.29 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 96.25 |
cLogP: | 0.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-05-26 |
Synthesis Location: | sai |
Shipped: | synthesis in progress |
AAR-POS-d2a4d1df-1
ALP-POS-c0c213c9-10
0.686
ALP-POS-c0c213c9-16
0.412
ALP-POS-c0c213c9-2
0.371
ALP-POS-c0c213c9-20
0.370
ALP-POS-c0c213c9-7
0.352
ALP-POS-c0c213c9-3
0.336
ALP-POS-c0c213c9-14
0.333
WIL-UNI-354943b6-7
0.331
PET-UNK-55f647aa-3
0.330
DRR-IMP-38dce17f-4
0.330
ALP-UNI-fe744232-14
0.320
ALP-POS-c0c213c9-17
0.319
SCO-CSI-e30c12ee-1
0.316
WIL-UNI-de614146-13
0.312
MAK-UNK-b7886382-2
0.311
RUT-UNI-630c5802-6
0.307
PEI-IMP-ca0b2813-1
0.304
ALP-UNI-fe744232-26
0.302
ALP-POS-84f19ead-4
0.301
JOH-IMS-62aeb97d-4
0.300
SIM-SYN-a98e6a07-1
0.297
RUT-UNI-630c5802-10
0.293
ALP-POS-c0c213c9-18
0.289
RUT-UNI-630c5802-2
0.289
DUN-NEW-f8ce3686-20
0.288
SAD-SAT-29425be4-27
0.287
ALP-POS-c0c213c9-11
0.286
WAR-XCH-b0339bbe-21
0.282
DUN-NEW-f8ce3686-15
0.282
DUN-NEW-f8ce3686-19
0.281
RUT-UNI-630c5802-14
0.280
NAU-LAT-64f4b287-9
0.278
DUN-NEW-f8ce3686-18
0.277
NIM-UNI-310206f0-46
0.274
JUL-TUD-06b2044f-78
0.270
JAN-GHE-83b26c96-16
0.270
WAR-XCH-b0339bbe-6
0.270
WIL-UNI-354943b6-1
0.269
SAD-SAT-b55127ae-4
0.269
BEN-DND-61647d40-18
0.268
NIM-UNI-310206f0-28
0.267
DAR-DIA-23aa0b97-6
0.265
DAR-DIA-23aa0b97-4
0.265
MAR-TRE-fd17a9b8-62
0.264
MAR-TRE-c8530538-100
0.264
NIM-UNI-310206f0-43
0.263
KAY-MCD-59dc2eb3-1
0.262
JAG-UCB-cedd89ab-4
0.261
WAR-XCH-bdd24732-28
0.261
WAR-XCH-79d12f6e-8
0.260
ALP-UNI-fe744232-1
0.260
BRU-THA-92256091-22
0.258
STE-KUL-2e0d2e88-3
0.257
RAL-MED-2de63afb-1
0.257
SIM-SYN-3099a863-3
0.257
LON-WEI-adc59df6-25
0.256
NIM-UNI-05f93fcc-6
0.255
PEI-IMP-ca0b2813-4
0.255
MIC-SGC-657978c3-3
0.255
LON-WEI-adc59df6-28
0.254
BEN-DND-61647d40-17
0.253
BEN-DND-61647d40-8
0.253
MIC-SGC-657978c3-1
0.252
MAR-TRE-c8530538-64
0.252
THO-SYG-f9b2970d-8
0.252
MAK-UNK-748f8b7a-6
0.252
JOR-UNI-61e7b1d5-12
0.252
WIL-UNI-de614146-7
0.250
THO-SYG-f9b2970d-4
0.250
ALP-POS-02c6a514-55
0.250
LON-WEI-120e5cf5-11
0.250
MIC-SGC-657978c3-5
0.250
ALP-POS-305f6ec3-58
0.250
NIM-UNI-310206f0-65
0.248
ALP-UNI-fe744232-10
0.248
ALP-POS-02c6a514-11
0.248
JOR-UNI-61e7b1d5-26
0.248
NIM-UNI-310206f0-27
0.248
JOR-UNI-2fc98d0b-4
0.248
MAK-UNK-009ebe36-8
0.248
GAB-REV-70cc3ca5-13
0.248
ANT-DIA-3c79be55-2
0.247
MAR-TRE-85681e92-95
0.247
LON-WEI-adc59df6-95
0.246
BEN-DND-61647d40-7
0.245
MIC-SGC-657978c3-7
0.245
ALP-POS-02c6a514-33
0.244
ALP-POS-02c6a514-26
0.244
PET-UNK-7d68125a-4
0.244
JOR-UNI-2fc98d0b-10
0.243
MAK-UNK-748f8b7a-5
0.242
DRR-IMP-38dce17f-6
0.242
LON-WEI-adc59df6-22
0.242
ALP-POS-88a7a97e-4
0.242
THO-SYG-f9b2970d-6
0.241
BEN-DND-031a96cc-1
0.241
DUN-NEW-f8ce3686-5
0.240
MAK-UNK-15efde89-1
0.240
MAR-TRE-7f7bb9f0-58
0.239
ALP-POS-305f6ec3-27
0.238