General Information of the Compound
| Compound ID |
CP0880941
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| Compound Name |
(+/-)-N-(1-(3-methyl-4-(1-methylpyrrolidin-3-yloxy)benzyl)pyrrolidin-3-yl)-3,4-dichlorobenzamide
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| Structure |
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| Formula |
C24H29Cl2N3O2
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| Molecular Weight |
462.421
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| Canonical SMILES |
Cc1cc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OC1CCN(C)C1
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| InChI |
InChI=1S/C24H29Cl2N3O2/c1-16-11-17(3-6-23(16)31-20-8-9-28(2)15-20)13-29-10-7-19(14-29)27-24(30)18-4-5-21(25)22(26)12-18/h3-6,11-12,19-20H,7-10,13-15H2,1-2H3,(H,27,30)/t19-,20?/m0/s1
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| InChIKey |
XZXBMHKXPUBQEP-XJDOXCRVSA-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