General Information of the Compound
| Compound ID |
CP0115042
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| Compound Name |
2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
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| Synonyms |
1341200-45-0
14D65TV20J
2-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzenesulfonamide
2-{[5-chloro-2-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)pyrimidin-4-yl]amino}-N,N-dimethylbenzene-1-sulfonamide
AKOS026750306
B5940
BDBM50382425
CHEMBL2022968
CS-4281
DA-45909
EX-A609
FT-0700169
GTPL8863
HY-12963
J-690134
MolPort-039-193-844
S7846
SCHEMBL12813478
TP 0903
TP-0903
TP0903
UNII-14D65TV20J
YUAALFPUEOYPNX-UHFFFAOYSA-N
ZINC84617535
compound 13
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| Structure |
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| Formula |
C24H30ClN7O2S
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| Molecular Weight |
516.071
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
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| InChI |
InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)
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| InChIKey |
YUAALFPUEOYPNX-UHFFFAOYSA-N
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| CAS |
1341200-45-0
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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