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| Ligand Name: H3B-6527 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB436 |
PubChem:
118029202
|
Synonym(s):
- 1702259-66-2
- unii-4hte364xik
- 4hte364xik
- n-(2-((6-(3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methylureido)pyrimidin-4-yl)amino)-5-(4-ethylpiperazin-1-yl)phenyl)acrylamide
- n-[2-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
- n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}-4-pyrimidinyl)amino]-5-(4-ethyl-1-piperazinyl)phenyl}acrylamide
- chembl3939295
- schembl16659467
- bdbm249396
- amy16703
- bcp17555
- ex-a1510
- h3b 6527
- nsc800283
- s8675
- akos032960479
- zinc521836463
- acn-037543
- ccg-270286
- cs-5830
- db15169
- h3b6527
- nsc-800283
- sb40408
- ac-29878
- ak684091
- as-55996
- hy-100491
- h3b 6527;h3b6527;eisai;h3 biomedicine
- us9434697, 108
- 2-propenamide, n-(2-((6-((((2,6-dichloro-3,5-dimethoxyphenyl)amino)carbonyl)methylamino)-4-pyrimidinyl)amino)-5-(4-ethyl-1-piperazinyl)phenyl)-
- n-(2-((6-(((2,6-dichloro-3,5 dimethoxyphenyl) carbamoyl) (methyl)amino)pyrimidin-4-yl)amino)-5-(4-ethylpiperazin-1-yl)phenyl)prop-2-enamide
- n-(2-(6-(3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methylureido)pyrimidin-4-ylamino)-5-(4-ethylpiperazin-1-yl)phenyl)acrylamide
- n-[2-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]-5-(4-ethylpi
show 33 synonym(s)
|
| DrugBank: DB15169 |
ChEMBL: CHEMBL3939295 |
| Canonical SMILES: CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c(NC(=O)C=C)c1 |
| Standard InChI: InChI=1S/C29H34Cl2N8O4/c1-6-25(40)35-20-14-18(39-12-10-38(7-2)11-13-39)8-9-19(20)34-23-16-24(33-17-32-23)37(3)29(41)36-28-26(30)21(42-4)15-22(43-5)27(28)31/h6,8-9,14-17H,1,7,10-13H2,2-5H3,(H,35,40)(H,36,41)(H,32,33,34) |
| Molecular Formula: C29H34Cl2N8O4 |
Mol. Weight: 628.208 |
logP: 5.4789 |
| HBD: 3 | HBA: 9 |
| #Rotatable Bonds: 10 | TPSA: 124.19 |