General Information of the Compound
| Compound ID |
CP0514706
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| Compound Name |
(S)-N-(1-(2-(3-(dimethylamino)propoxy)benzyl)pyrrolidin-3-yl)-3,4-dichlorobenzamide
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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)CCCOc1ccccc1CN1CC[C@@H](C1)NC(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H29Cl2N3O2/c1-27(2)11-5-13-30-22-7-4-3-6-18(22)15-28-12-10-19(16-28)26-23(29)17-8-9-20(24)21(25)14-17/h3-4,6-9,14,19H,5,10-13,15-16H2,1-2H3,(H,26,29)/t19-/m0/s1
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| InChIKey |
FRMOJTWWQMBDBU-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