General Information of the Compound
| Compound ID |
CP0969406
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| Compound Name |
rac-3-(7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile
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| Structure |
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| Formula |
C16H18N6O
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| Molecular Weight |
310.361
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| Canonical SMILES |
N#CCC(=O)N1CCC2(CCN(c3ncnc4[nH]ccc34)C2)C1
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| InChI |
InChI=1S/C16H18N6O/c17-5-1-13(23)21-7-3-16(9-21)4-8-22(10-16)15-12-2-6-18-14(12)19-11-20-15/h2,6,11H,1,3-4,7-10H2,(H,18,19,20)
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| InChIKey |
XYRIHYUDZNWJCW-UHFFFAOYSA-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