General Information of the Compound
| Compound ID |
CP0437450
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| Compound Name |
1-(2-fluoro-benzyl)-3-(3-methoxy-phenyl)-8-(4-pyrimidin-5-yl-benzyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C32H30FN5O3
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| Molecular Weight |
551.622
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| Canonical SMILES |
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cncnc3)CC2)C1=O
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| InChI |
InChI=1S/C32H30FN5O3/c1-41-28-7-4-6-27(17-28)38-30(39)32(37(31(38)40)21-25-5-2-3-8-29(25)33)13-15-36(16-14-32)20-23-9-11-24(12-10-23)26-18-34-22-35-19-26/h2-12,17-19,22H,13-16,20-21H2,1H3
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| InChIKey |
CTXRHMHOCAVELO-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