General Information of the Compound
Compound ID
CP0162155
Compound Name
8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
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Structure
Formula
C21H23NO2
Molecular Weight
321.42
Canonical SMILES
COc1cccc2CCC(Cc12)C(=O)N[C@H]1C[C@@H]1c1ccccc1
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InChI
InChI=1S/C21H23NO2/c1-24-20-9-5-8-15-10-11-16(12-18(15)20)21(23)22-19-13-17(19)14-6-3-2-4-7-14/h2-9,16-17,19H,10-13H2,1H3,(H,22,23)/t16?,17-,19+/m1/s1
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InChIKey
GWFJJCPRJHUFIT-QIONWKSUSA-N
Physicochemical Property
logP
3.4724
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 53317560
ChEMBL ID
CHEMBL1672128