General Information of the Compound
| Compound ID |
CP0098913
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| Compound Name |
(S)-3,4-dichloro-N-(1-(4-(3-(dimethylamino)propoxy)benzyl)pyrrolidin-3-yl)benzamide
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| Synonyms |
(S)-3,4-dichloro-N-(1-(4-(3-(dimethylamino)propoxy)benzyl)pyrrolidin-3-yl)benzamide
(S)-N-(1-(4-(3-(dimethylamino)propoxy)benzyl)pyrrolidin-3-yl)-3,4-dichlorobenzamide
3,4-Dichloro-N-{(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-benzamide
346729-66-6
BDBM50240963
Benzamide,3,4-dichloro-N-[(3S)-1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-3-pyrrolidinyl]-
CHEMBL366221
GTPL2164
KB-74923
SB-436811
SCHEMBL6949936
ZINC3964101
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| Structure |
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| Formula |
C23H29Cl2N3O2
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| Molecular Weight |
450.41
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C23H29Cl2N3O2/c1-27(2)11-3-13-30-20-7-4-17(5-8-20)15-28-12-10-19(16-28)26-23(29)18-6-9-21(24)22(25)14-18/h4-9,14,19H,3,10-13,15-16H2,1-2H3,(H,26,29)/t19-/m0/s1
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| InChIKey |
AMSSIFVGNFEEFU-IBGZPJMESA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound