General Information of the Compound
| Compound ID |
CP0548154
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| Compound Name |
1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one
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| Structure |
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| Formula |
C27H26N4O
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| Molecular Weight |
422.532
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| Canonical SMILES |
Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccccc21)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H26N4O/c1-29-17-14-28-25(29)19-30-15-12-27(13-16-30)23-8-4-5-9-24(23)31(26(27)32)22-11-10-20-6-2-3-7-21(20)18-22/h2-11,14,17-18H,12-13,15-16,19H2,1H3
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| InChIKey |
CVAXLHVGKUTCQA-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