General Information of the Compound
| Compound ID |
CP0967053
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| Compound Name |
3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridyl]-5-(2-methyl-1-piperidyl)-1H-pyrazolo[4,3-d]pyrimidine
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| Structure |
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| Formula |
C21H28N8
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| Molecular Weight |
392.511
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| Canonical SMILES |
CC1CCCCN1c1ncc2[nH]nc(-c3ccc(N4CCN[C@H](C)C4)nc3)c2n1
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| InChI |
InChI=1S/C21H28N8/c1-14-13-28(10-8-22-14)18-7-6-16(11-23-18)19-20-17(26-27-19)12-24-21(25-20)29-9-4-3-5-15(29)2/h6-7,11-12,14-15,22H,3-5,8-10,13H2,1-2H3,(H,26,27)/t14-,15?/m1/s1
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| InChIKey |
AVBMVXZGAUWXIR-GICMACPYSA-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