General Information of the Compound
Compound ID
CP0929216
Compound Name
(S)-Methyl 2-(3-cyclopentyl-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)-3-phenylpropanoate
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Structure
Formula
C19H22N2O5
Molecular Weight
358.394
Canonical SMILES
COC(=O)[C@H](Cc1ccccc1)N1C(=O)CC(=O)N(C2CCCC2)C1=O
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InChI
InChI=1S/C19H22N2O5/c1-26-18(24)15(11-13-7-3-2-4-8-13)21-17(23)12-16(22)20(19(21)25)14-9-5-6-10-14/h2-4,7-8,14-15H,5-6,9-12H2,1H3/t15-/m0/s1
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InChIKey
FUQYXCZINJLBFV-HNNXBMFYSA-N
Physicochemical Property
logP
1.8942
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
83.99
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
26

"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).

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PubChem ID
CID: 71682031
ChEMBL ID
CHEMBL2380914
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06040, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06039, Voltage-dependent L-type calcium channel subunit alpha-1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS