General Information of the Compound
| Compound ID |
CP0886174
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| Compound Name |
1-[3-(4-phenyl-1H-2-imidazolyl)-(3S)-spiro[2,3,4,9-tetrahydro-1H-b-carboline-1,4'-(hexahydropyridine)]-1-yl]-1-ethanone
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| Structure |
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| Formula |
C26H27N5O
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| Molecular Weight |
425.536
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| Canonical SMILES |
CC(=O)N1CCC2(CC1)N[C@@H](c1nc(-c3ccccc3)c[nH]1)Cc1c2[nH]c2ccccc12
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| InChI |
InChI=1S/C26H27N5O/c1-17(32)31-13-11-26(12-14-31)24-20(19-9-5-6-10-21(19)28-24)15-22(30-26)25-27-16-23(29-25)18-7-3-2-4-8-18/h2-10,16,22,28,30H,11-15H2,1H3,(H,27,29)/t22-/m1/s1
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| InChIKey |
FDZYHAWONRWZSX-JOCHJYFZSA-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