General Information of the Compound
| Compound ID |
CP0514236
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| Compound Name |
5-[2'-oxospiro[cyclohexane-1,3'-(2',3'-dihydro-1'H-indole)]-5-yl]-1H-2-pyrrolecarbonitrile
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| Structure |
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| Formula |
C18H17N3O
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| Molecular Weight |
291.354
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| Canonical SMILES |
O=C1Nc2ccc(cc2C11CCCCC1)-c1ccc([nH]1)C#N
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| InChI |
InChI=1S/C18H17N3O/c19-11-13-5-7-15(20-13)12-4-6-16-14(10-12)18(17(22)21-16)8-2-1-3-9-18/h4-7,10,20H,1-3,8-9H2,(H,21,22)
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| InChIKey |
WOOGDOFSBFHNTB-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