General Information of the Compound
| Compound ID |
CP0067493
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| Compound Name |
N-[3-chloro-4-[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide
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| Structure |
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| Formula |
C27H33ClF3N5O
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| Molecular Weight |
536.042
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| Canonical SMILES |
CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C27H33ClF3N5O/c1-25(2,23-32-11-7-22(34-23)27(29,30)31)24(37)33-19-5-6-21(20(28)15-19)36-13-9-26(10-14-36)8-12-35(17-26)16-18-3-4-18/h5-7,11,15,18H,3-4,8-10,12-14,16-17H2,1-2H3,(H,33,37)
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| InChIKey |
PZAIVSQWZAHADG-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
Protein ID: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT01611, Neuropeptide Y receptor type 2
Protein ID: PT01795, Neuropeptide Y receptor type 5
Protein ID: PT00694, Neuropeptide Y-Y2 receptor