General Information of the Compound
| Compound ID |
CP0903810
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| Compound Name |
(R)-2-Amino-1-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1Hpyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)-4-methylpentan-1-one
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| Structure |
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| Formula |
C27H31N7O2
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| Molecular Weight |
485.592
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| Canonical SMILES |
CC(C)C[C@@H](N)C(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C27H31N7O2/c1-17(2)14-22(28)27(35)33-13-12-19(15-33)34-26-23(25(29)30-16-31-26)24(32-34)18-8-10-21(11-9-18)36-20-6-4-3-5-7-20/h3-11,16-17,19,22H,12-15,28H2,1-2H3,(H2,29,30,31)/t19-,22-/m1/s1
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| InChIKey |
MSYOTELEWPZKEC-DENIHFKCSA-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