General Information of the Compound
| Compound ID |
CP0372715
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| Compound Name |
[9-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrimidin-4-ylmethanone
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| Structure |
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| Formula |
C27H30N4O2
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| Molecular Weight |
442.563
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| Canonical SMILES |
O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncn1
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| InChI |
InChI=1S/C27H30N4O2/c32-26(25-9-14-28-21-29-25)31-17-12-27(13-18-31)10-15-30(16-11-27)20-22-5-4-8-24(19-22)33-23-6-2-1-3-7-23/h1-9,14,19,21H,10-13,15-18,20H2
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| InChIKey |
GDZWYFZOGVMUEB-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