General Information of the Compound
| Compound ID |
CP0333634
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| Compound Name |
1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-benzyl)-3-(3-methoxy-phenyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C31H30FN5O3
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| Molecular Weight |
539.611
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-n3ccnc3)CC2)C1=O
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| InChI |
InChI=1S/C31H30FN5O3/c1-40-27-7-4-6-26(19-27)37-29(38)31(36(30(37)39)21-24-5-2-3-8-28(24)32)13-16-34(17-14-31)20-23-9-11-25(12-10-23)35-18-15-33-22-35/h2-12,15,18-19,22H,13-14,16-17,20-21H2,1H3
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| InChIKey |
WIFGAYBFSSWCPA-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