General Information of the Compound
| Compound ID |
CP0927903
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| Compound Name |
(R)-2-Amino-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)ethanone
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| Structure |
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| Formula |
C23H23N7O2
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| Molecular Weight |
429.484
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| Canonical SMILES |
NCC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C23H23N7O2/c24-12-19(31)29-11-10-16(13-29)30-23-20(22(25)26-14-27-23)21(28-30)15-6-8-18(9-7-15)32-17-4-2-1-3-5-17/h1-9,14,16H,10-13,24H2,(H2,25,26,27)/t16-/m1/s1
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| InChIKey |
LZYFUNVMEHYHTB-MRXNPFEDSA-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