General Information of the Compound
| Compound ID |
CP0131085
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| Compound Name |
2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1-thia-3-azaspiro[4.4]non-2-en-4-one
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| Structure |
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| Formula |
C16H22N2OS
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| Molecular Weight |
290.432
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| Canonical SMILES |
O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1
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| InChI |
InChI=1S/C16H22N2OS/c19-13-16(3-1-2-4-16)20-14(17-13)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,1-9H2,(H,17,18,19)
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| InChIKey |
GXHSOLWRHSMNFU-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