Primary record
SGC0946
- CAS
- 1561178-17-3
- PubChem CID
- 56962337
- SMILES
- CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O
- Molecular Formula
- C28H40BrN7O4
- Molecular Weight
- 618.577
- Exact Mass
- 617.2325
- InChI
- InChI=1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1
- InChIKey
- IQCKJUKAQJINMK-HUBRGWSESA-N
- LogP
- 3.6149
- TPSA
- 150.79
Names and synonyms
- SGC0946
- 1561178-17-3
- SGC 0946
- SGC-0946
- RefChem:182669
- C28H40BrN7O4
- D0S9SJ
- CHEMBL3087498
- MLS006011035
- MFCD26523136
- GTPL7020
- orb1304559
- SCHEMBL17433345
- SCHEMBL29352994
- AOB3554
- EX-A321
- CHEBI:232383
- DTXSID101099663
- AMY14749
- 2714AH
- BDBM50443016
- s7079
- SGC-0946?
- ZINC97956664
- AKOS024458211
- CCG-270251
- CS-3531
- EBC-510421
- NCGC00344622-01
- NCGC00344622-10