General Information of the Compound
| Compound ID |
CP0567396
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| Compound Name |
9-[6-(cyclopropylamino)pyrimidin-4-yl]-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one
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| Structure |
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| Formula |
C29H41N7O
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| Molecular Weight |
503.695
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| Canonical SMILES |
CC1(C)CCN(Cc2ccc(cc2)N2CC(=O)NC3(CCN(CC3)c3cc(NC4CC4)ncn3)C2)CC1
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| InChI |
InChI=1S/C29H41N7O/c1-28(2)9-13-34(14-10-28)18-22-3-7-24(8-4-22)36-19-27(37)33-29(20-36)11-15-35(16-12-29)26-17-25(30-21-31-26)32-23-5-6-23/h3-4,7-8,17,21,23H,5-6,9-16,18-20H2,1-2H3,(H,33,37)(H,30,31,32)
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| InChIKey |
FWZHWNOKTFSSGE-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