General Information of the Compound
| Compound ID |
CP0439098
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| Compound Name |
1'-(1-pyridin-2-ylethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
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| Structure |
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| Formula |
C28H26N4O
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| Molecular Weight |
434.543
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| Canonical SMILES |
CC(N1CCC2(CC1)C(=O)N(c1ccccc21)c1cnc2ccccc2c1)c1ccccn1
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| InChI |
InChI=1S/C28H26N4O/c1-20(24-10-6-7-15-29-24)31-16-13-28(14-17-31)23-9-3-5-12-26(23)32(27(28)33)22-18-21-8-2-4-11-25(21)30-19-22/h2-12,15,18-20H,13-14,16-17H2,1H3
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| InChIKey |
OAICMHUBSGRQPL-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