General Information of the Compound
| Compound ID |
CP0433191
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| Compound Name |
1-methyl-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 |
C19H19N3O
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| Molecular Weight |
305.381
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| Canonical SMILES |
Cn1c(ccc1-c1ccc2NC(=O)C3(CCCCC3)c2c1)C#N
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| InChI |
InChI=1S/C19H19N3O/c1-22-14(12-20)6-8-17(22)13-5-7-16-15(11-13)19(18(23)21-16)9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,21,23)
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| InChIKey |
WMIPEGGWIZEEMY-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