General Information of the Compound
| Compound ID |
CP0444650
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| Compound Name |
(S)-N-(1-(4-(1-benzylpiperidin-4-yloxy)-3-bromobenzyl)pyrrolidin-3-yl)-3,4-dichlorobenzamide
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| Structure |
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| Formula |
C30H32BrCl2N3O2
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| Molecular Weight |
617.415
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| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCN(Cc4ccccc4)CC3)c(Br)c2)C1
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| InChI |
InChI=1S/C30H32BrCl2N3O2/c31-26-16-22(19-36-13-10-24(20-36)34-30(37)23-7-8-27(32)28(33)17-23)6-9-29(26)38-25-11-14-35(15-12-25)18-21-4-2-1-3-5-21/h1-9,16-17,24-25H,10-15,18-20H2,(H,34,37)/t24-/m0/s1
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| InChIKey |
HIMZSVHQBCOUSW-DEOSSOPVSA-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