General Information of the Compound
| Compound ID |
CP0479784
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| Compound Name |
1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl]ethanone
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| Structure |
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| Formula |
C15H19N5O
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| Molecular Weight |
285.351
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| Canonical SMILES |
CC(=O)N1CC[C@H]2CCN([C@H]2C1)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C15H19N5O/c1-10(21)19-6-3-11-4-7-20(13(11)8-19)15-12-2-5-16-14(12)17-9-18-15/h2,5,9,11,13H,3-4,6-8H2,1H3,(H,16,17,18)/t11-,13-/m0/s1
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| InChIKey |
CUHUENXIIBWWOF-AAEUAGOBSA-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