General Information of the Compound
Compound ID
CP0307797
Compound Name
4-(bicyclo[2.2.1]heptan-2-ylamino)-N-(isopropylcarbamoyl)pyridine-3-sulfonamide
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Structure
Formula
C16H24N4O3S
Molecular Weight
352.46
Canonical SMILES
CC(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CC2CCC1C2
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InChI
InChI=1S/C16H24N4O3S/c1-10(2)18-16(21)20-24(22,23)15-9-17-6-5-13(15)19-14-8-11-3-4-12(14)7-11/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,17,19)(H2,18,20,21)
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InChIKey
KUUDCXGUWLYZPK-UHFFFAOYSA-N
Physicochemical Property
logP
2.0784
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
100.19
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 4157547
ChEMBL ID
CHEMBL1348293