General Information of the Compound
| Compound ID |
CP0927904
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| Compound Name |
(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
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| Structure |
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| Formula |
C29H34N8O2
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| Molecular Weight |
526.645
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| Canonical SMILES |
CN1CCN(CC(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1
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| InChI |
InChI=1S/C29H34N8O2/c1-34-14-16-35(17-15-34)19-25(38)36-13-5-6-22(18-36)37-29-26(28(30)31-20-32-29)27(33-37)21-9-11-24(12-10-21)39-23-7-3-2-4-8-23/h2-4,7-12,20,22H,5-6,13-19H2,1H3,(H2,30,31,32)/t22-/m1/s1
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| InChIKey |
RWIBTNFIXKBTEN-JOCHJYFZSA-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