General Information of the Compound
| Compound ID |
CP0299598
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| Compound Name |
2,4-difluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
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| Structure |
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| Formula |
C27H30F2N8O2
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| Molecular Weight |
536.587
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| Canonical SMILES |
COc1cc(ccc1Nc1nc(Nc2cc(F)cc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
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| InChI |
InChI=1S/C27H30F2N8O2/c1-15(2)36-8-10-37(11-9-36)17-4-5-20(22(14-17)39-3)33-27-34-25-18(6-7-31-25)26(35-27)32-21-13-16(28)12-19(29)23(21)24(30)38/h4-7,12-15H,8-11H2,1-3H3,(H2,30,38)(H3,31,32,33,34,35)
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| InChIKey |
FQMKFSBHRHOBPI-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01104, Insulin-like growth factor 1 receptor