General Information of the Compound
| Compound ID |
CP0479470
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| Compound Name |
(S)-N-(1-(4-(piperidin-4-yloxy)phenethyl)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 |
Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(CCc2ccc(OC3CCNCC3)cc2)C1
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| InChI |
InChI=1S/C24H29Cl2N3O2/c25-22-6-3-18(15-23(22)26)24(30)28-19-10-14-29(16-19)13-9-17-1-4-20(5-2-17)31-21-7-11-27-12-8-21/h1-6,15,19,21,27H,7-14,16H2,(H,28,30)/t19-/m0/s1
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| InChIKey |
DPNJNFFAQJQRRQ-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