General Information of the Compound
| Compound ID |
CP0373959
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| Compound Name |
[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrimidin-4-ylmethanone
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| Structure |
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| Formula |
C25H34N4O2
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| Molecular Weight |
422.573
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| Canonical SMILES |
CC(C)COc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1
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| InChI |
InChI=1S/C25H34N4O2/c1-20(2)18-31-23-6-4-3-5-21(23)17-28-13-8-25(9-14-28)10-15-29(16-11-25)24(30)22-7-12-26-19-27-22/h3-7,12,19-20H,8-11,13-18H2,1-2H3
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| InChIKey |
XHYHAGAWIQDXFU-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