General Information of the Compound
| Compound ID |
CP0275596
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| Compound Name |
5-chloro-N2-(8-methoxy-3-(2-methoxyethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-N4-(2-methoxy-4-morpholinophenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C29H37ClN6O4
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| Molecular Weight |
569.106
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| Canonical SMILES |
COCCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1
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| InChI |
InChI=1S/C29H37ClN6O4/c1-37-13-10-35-8-6-20-16-25(26(38-2)17-21(20)7-9-35)33-29-31-19-23(30)28(34-29)32-24-5-4-22(18-27(24)39-3)36-11-14-40-15-12-36/h4-5,16-19H,6-15H2,1-3H3,(H2,31,32,33,34)
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| InChIKey |
MKNXBDPSGZZPKP-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