General Information of the Compound
| Compound ID |
CP0903100
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| Compound Name |
(R)-2-Amino-1-(4-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo-[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-4-methylpentan-1-one
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| Structure |
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| Formula |
C28H33N7O2
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| Molecular Weight |
499.619
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| Canonical SMILES |
CC(C)C[C@@H](N)C(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1
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| InChI |
InChI=1S/C28H33N7O2/c1-18(2)16-23(29)28(36)34-14-12-20(13-15-34)35-27-24(26(30)31-17-32-27)25(33-35)19-8-10-22(11-9-19)37-21-6-4-3-5-7-21/h3-11,17-18,20,23H,12-16,29H2,1-2H3,(H2,30,31,32)/t23-/m1/s1
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| InChIKey |
FIEAYJWHCAUPAM-HSZRJFAPSA-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