General Information of the Compound
| Compound ID |
CP0011916
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| Compound Name |
(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
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| Synonyms |
(1S,2R,3S,5R)-3-(2-(2-Amino-3-bromoquinolin-7-yl)ethyl)-5-(4-amino-7H-pyrrolo(2,3-d)pyrimidin-7-yl)cyclopentane-1,2-diol
(1S,2R,3S,5R)-3-(2-(2-Amino-3-bromoquinolin-7-yl)ethyl)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
(1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop
(1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol
1,2-Cyclopentanediol, 3-(2-(2-amino-3-bromo-7-quinolinyl)ethyl)-5-(4-amino-7H-pyrrolo(2,3-d)pyrimidin-7-yl)-, (1S,2R,3S,5R)-
2086772-26-9
A16861
BDBM50462572
CHEMBL4249337
CS-0021720
EX-A2791
HY-101564
JNJ-64619178
JNJ45031882
JNJ64619178
K8N
N8VKI8FPW0
NSC-808507
NSC808507
Onametostat
Onametostat [INN]
S8624
SCHEMBL18572106
UNII-N8VKI8FPW0
entane-1,2-diol
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| Structure |
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| Formula |
C22H23BrN6O2
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| Molecular Weight |
483.37
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| Canonical SMILES |
Nc1nc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccc2cc1Br
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| InChI |
InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1
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| InChIKey |
DBSMLQTUDJVICQ-CJODITQLSA-N
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| CAS |
2086772-26-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound