General Information of the Compound
| Compound ID |
CP0000354
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| Compound Name |
CHEMBL3037926
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| Formula |
C9H16N2O
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| Molecular Weight |
168.24
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| Canonical SMILES |
CNC(=O)[C@@H]1C[C@@H]2CNC[C@@H]2C1
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| InChI |
InChI=1S/C9H16N2O/c1-10-9(12)6-2-7-4-11-5-8(7)3-6/h6-8,11H,2-5H2,1H3,(H,10,12)/t6-,7-,8+
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| InChIKey |
ZBCPFWOYXGGVNU-WHUPJOBBSA-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