General Information of the Compound
Compound ID
CP0361384
Compound Name
3-cyano-N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]benzamide
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Structure
Formula
C27H28N4O2
Molecular Weight
440.547
Canonical SMILES
O=C(Nc1ccc2[nH]cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1)c1cccc(c1)C#N
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InChI
InChI=1S/C27H28N4O2/c28-16-18-4-3-7-21(14-18)26(32)30-22-8-9-25-23(15-22)24(17-29-25)19-10-12-31(13-11-19)27(33)20-5-1-2-6-20/h3-4,7-9,14-15,17,19-20,29H,1-2,5-6,10-13H2,(H,30,32)
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InChIKey
HDYDGYGIQGBWPQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.18808
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
88.99
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
33

"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: 90646903
ChEMBL ID
CHEMBL4283871