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3ClH/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40
Assuming an association rate of 1×108 M-1 s-1 as a high end for a range of protein-small molecule interactions
2109414-84-6 (2HCl)
Smiles: FC1C=CC(=CC=1)NC1=NC(=CS1)C1C=CC=CC=1
In mouse models of itching
D-Cl-amidine gravir (MK-0518) 3ClH/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40D Cl amidine is a potent and highly selective PAD1 inhibitor. D Cl amidine is well torelated with no significant toxicity. Product information CAS Number: 1404060 15 6 Molecular Weight: 310. 78 Formula: C14H19ClN4O2 Chemical Name: (2R) 5 [(1 amino 2 chloroethylidene)amino] 2 (phenylformamido)pentanamide Smiles: NC(=O)[C@@H](CCCN=C(N)CCl)NC(=O)C1C=CC=CC=1 InChiKey: BPWATVWOHQZVRP LLVKDONJSA N InChi: InChI=1S C14H19ClN4O2 c15 9 12(16)18 8 4 7