General Information of the Compound
Compound ID
CP0220199
Compound Name
US8614253, 32-12
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Structure
Formula
C21H20N2O3S
Molecular Weight
380.469
Canonical SMILES
CN1CCN(CC1)C(=O)c1ccc(s1)-c1ccc2c(C=O)c(O)ccc2c1
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InChI
InChI=1S/C21H20N2O3S/c1-22-8-10-23(11-9-22)21(26)20-7-6-19(27-20)15-2-4-16-14(12-15)3-5-18(25)17(16)13-24/h2-7,12-13,25H,8-11H2,1H3
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InChIKey
IVQVBMWPWPTSNO-UHFFFAOYSA-N
Physicochemical Property
logP
3.474
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
60.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 59599728
SID: 163429572
ChEMBL ID
CHEMBL3665060