General Information of the Compound
| Compound ID |
CP0424022
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| Compound Name |
8-[2-[1-(furan-2-carbonyl)-3-phenylpyrrolidin-3-yl]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C30H34N4O3
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| Molecular Weight |
498.627
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| Canonical SMILES |
O=C(N1CCC(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)(C1)c1ccccc1)c1ccco1
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| InChI |
InChI=1S/C30H34N4O3/c35-27(26-12-7-21-37-26)33-20-14-29(22-33,24-8-3-1-4-9-24)13-17-32-18-15-30(16-19-32)28(36)31-23-34(30)25-10-5-2-6-11-25/h1-12,21H,13-20,22-23H2,(H,31,36)
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| InChIKey |
IUQZDMXIGQOETI-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