General Information of the Compound
| Compound ID |
CP0120239
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| Compound Name |
US10537571, Compound 108
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| Synonyms |
1702259-66-2
4HTE364XIK
AC-29878
ACN-037543
AK684091
AKOS032960479
BCP17555
BDBM249396
CHEMBL3939295
CS-5830
EX-A1510
Eisai/H3 Biomedicine
H3B-6527
H3B6527
HY-100491
MBWRLLRCTIYXDW-UHFFFAOYSA-N
N-(2-((6-(3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methylureido)pyrimidin-4-yl)amino)-5-(4-ethylpiperazin-1-yl)phenyl)acryla
N-[2-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
SCHEMBL16659467
UNII-4HTE364XIK
US9434697, 108
ZINC521836463
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| Structure |
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| Formula |
C29H34Cl2N8O4
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| Molecular Weight |
629.549
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c(NC(=O)C=C)c1
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| 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)
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| InChIKey |
MBWRLLRCTIYXDW-UHFFFAOYSA-N
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| CAS |
1702259-66-2
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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