General Information of the Compound
| Compound ID |
CP0965295
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| Compound Name |
3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridyl]-5-(1-piperidyl)-1H-pyrazolo[4,3-d]pyrimidine
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| Structure |
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| Formula |
C20H26N8
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| Molecular Weight |
378.484
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| Canonical SMILES |
C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5CCCCC5)nc34)cn2)CCN1
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| InChI |
InChI=1S/C20H26N8/c1-14-13-28(10-7-21-14)17-6-5-15(11-22-17)18-19-16(25-26-18)12-23-20(24-19)27-8-3-2-4-9-27/h5-6,11-12,14,21H,2-4,7-10,13H2,1H3,(H,25,26)/t14-/m1/s1
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| InChIKey |
XJPVPPZYJPYKDT-CQSZACIVSA-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