General Information of the Compound
| Compound ID |
CP0395473
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| Compound Name |
2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-(pyrimidin-4-ylmethyl)ethanamine
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| Structure |
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| Formula |
C21H28N4O
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| Molecular Weight |
352.482
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| Canonical SMILES |
C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1ccncn1
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| InChI |
InChI=1S/C21H28N4O/c1-4-11-24-19(5-1)20(9-13-22-15-18-6-12-23-17-25-18)10-14-26-21(16-20)7-2-3-8-21/h1,4-6,11-12,17,22H,2-3,7-10,13-16H2/t20-/m1/s1
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| InChIKey |
VBTJHVMNANMMQU-HXUWFJFHSA-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