General Information of the Compound
Compound ID
CP0035527
Compound Name
(6S,7S)-6-[4-(3-cyclopropyl-phenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-aza-spiro[2.5]octane-7-carboxylic acid hydroxyamide
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Structure
Formula
C23H29N3O3
Molecular Weight
395.503
Canonical SMILES
ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1cccc(c1)C1CC1
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InChI
InChI=1S/C23H29N3O3/c27-21(25-29)19-13-23(8-9-23)14-24-20(19)22(28)26-10-6-16(7-11-26)18-3-1-2-17(12-18)15-4-5-15/h1-3,6,12,15,19-20,24,29H,4-5,7-11,13-14H2,(H,25,27)/t19-,20-/m0/s1
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InChIKey
UCFPOZCPIVOGIJ-PMACEKPBSA-N
Physicochemical Property
logP
2.4434
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
81.67
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 44446757
ChEMBL ID
CHEMBL403161
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: PT00847, Disintegrin and metalloproteinase domain-containing protein 10
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000218 BT-474 Homo sapiens (Human)  1
1
IC50 = 162 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 48 nM