General Information of the Compound
| Compound ID |
CP0880751
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| Compound Name |
N-((3s,5s,7s)-Adamantan-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
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| Structure |
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| Formula |
C18H21N3O
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| Molecular Weight |
295.386
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| Canonical SMILES |
O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cccnc2[nH]1
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| InChI |
InChI=1S/C18H21N3O/c22-17(15-7-14-2-1-3-19-16(14)20-15)21-18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13H,4-6,8-10H2,(H,19,20)(H,21,22)
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| InChIKey |
RBQBLZGVSOTELN-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