General Information of the Compound
Compound ID
CP0087367
Compound Name
5-fluoro-2-methyl-N-[2-methyl-4-[(3S)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
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Structure
Formula
C24H30FN3O
Molecular Weight
395.522
Canonical SMILES
C[C@@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1
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InChI
InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m1/s1
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InChIKey
RTNOWHVTNCEMDM-NQIIRXRSSA-N
Physicochemical Property
logP
4.75784
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 59401793
ChEMBL ID
CHEMBL2403548