Drug Information
General Information of This Drug
| Drug ID | DRG00228 | |||||
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| Drug Name | Fallypride derivative | |||||
| Structure |
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| Formula |
C20H30N2O3S
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| #Ro5 Violations (Lipinski): 0 | Molecular Weight (mw) | 378.5 | ||||
| Lipid-water partition coefficient (xlogp) | 3.3 | |||||
| Hydrogen Bond Donor Count (hbonddonor) | 2 | |||||
| Hydrogen Bond Acceptor Count (hbondacc) | 5 | |||||
| Rotatable Bond Count (rotbonds) | 10 | |||||
| PubChem CID | ||||||
| Canonical smiles |
COC1=CC(=CC(=C1OC)C(=O)NCC2CCCN2CC=C)CCCS
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| InChI |
InChI=1S/C20H30N2O3S/c1-4-9-22-10-5-8-16(22)14-21-20(23)17-12-15(7-6-11-26)13-18(24-2)19(17)25-3/h4,12-13,16,26H,1,5-11,14H2,2-3H3,(H,21,23)/t16-/m0/s1
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| InChIKey |
UNCSZWCQNBOOTA-INIZCTEOSA-N
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| IUPAC Name |
2,3-dimethoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]-5-(3-sulfanylpropyl)benzamide
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