General Information of the Compound
| Compound ID |
CP0438777
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| Compound Name |
[9-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrimidin-4-ylmethanone
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| Structure |
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| Formula |
C28H32N4O3
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| Molecular Weight |
472.589
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| Canonical SMILES |
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1
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| InChI |
InChI=1S/C28H32N4O3/c1-34-25-8-4-5-9-26(25)35-24-7-3-2-6-22(24)20-31-16-11-28(12-17-31)13-18-32(19-14-28)27(33)23-10-15-29-21-30-23/h2-10,15,21H,11-14,16-20H2,1H3
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| InChIKey |
GMCICJZIANWTML-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