Name: CXCR7 modulator 2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666943
Cas No:2227426-37-9
常用名:CXCR7 modulator 2
IUPAC:(3S)-3-(4-{7-ethylimidazo[1,2-a]pyridin-8-yl}-1,4-diazepan-1-yl)-3-{1-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]piperidin-4-yl}propanamide
IUPAC:(3S)-3-(4-{7-ethylimidazo[1,2-a]pyridin-8-yl}-1,4-diazepan-1-yl)-3-{1-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]piperidin-4-yl}propanamide
InChI key:CERHKHQEGFSIHF-OJJQZRKESA-N

分子式:C29H42N6O3
分子量:522.694
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:1.0724605
SMILES:CCc1ccn2ccnc2c1N1CCCN(CC1)[C@@H](CC(N)=O)C1CCN(CC1)C(=O)[C@H]1C[C@@H]2CC[C@H]1O2
SMILES:CCc1ccn2ccnc2c1N1CCCN(CC1)[C@@H](CC(N)=O)C1CCN(CC1)C(=O)[C@H]1C[C@@H]2CC[C@H]1O2

CXCR7 modulator 2 is a 7-type C-X-C chemokine receptor (CXCR7) modulator with a Ki of 13 nM.

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