General Information of the Compound
| Compound ID |
CP0453277
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| Compound Name |
3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-5'-yl)benzonitrile
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| Structure |
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| Formula |
C19H16N2O
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| Molecular Weight |
288.35
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| Canonical SMILES |
O=C1Nc2ccc(cc2C11CCCC1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C19H16N2O/c20-12-13-4-3-5-14(10-13)15-6-7-17-16(11-15)19(18(22)21-17)8-1-2-9-19/h3-7,10-11H,1-2,8-9H2,(H,21,22)
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| InChIKey |
QOLHBLXTCPSWBK-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