General Information of the Compound
| Compound ID |
CP0157290
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| Compound Name |
1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-8-(4-pyridin-4-yl-benzyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C33H31FN4O3
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| Molecular Weight |
550.634
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3ccncc3)CC2)C1=O
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| InChI |
InChI=1S/C33H31FN4O3/c1-41-29-7-4-6-28(21-29)38-31(39)33(37(32(38)40)23-27-5-2-3-8-30(27)34)15-19-36(20-16-33)22-24-9-11-25(12-10-24)26-13-17-35-18-14-26/h2-14,17-18,21H,15-16,19-20,22-23H2,1H3
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| InChIKey |
FLYSTSPNPXBSFJ-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