General Information of the Compound
| Compound ID |
CP0150611
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| Compound Name |
5-[6-chloro-5-[2-chloro-5-[[4-(methylamino)pyrimidin-2-yl]amino]-1-benzothiophen-3-yl]pyridin-3-yl]-3,6-dimethylpyrimidin-4-one
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| Structure |
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| Formula |
C24H19Cl2N7OS
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| Molecular Weight |
524.437
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| Canonical SMILES |
CNc1ccnc(Nc2ccc3sc(Cl)c(-c4cc(cnc4Cl)-c4c(C)ncn(C)c4=O)c3c2)n1
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| InChI |
InChI=1S/C24H19Cl2N7OS/c1-12-19(23(34)33(3)11-30-12)13-8-16(21(25)29-10-13)20-15-9-14(4-5-17(15)35-22(20)26)31-24-28-7-6-18(27-2)32-24/h4-11H,1-3H3,(H2,27,28,31,32)
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| InChIKey |
ZYIUYTWUXIBOEY-UHFFFAOYSA-N
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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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