General Information of the Compound
| Compound ID |
CP0495917
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| Compound Name |
(S)-N-(1-(3-bromo-4-(2-(piperazin-1-yl)ethoxy)benzyl)pyrrolidin-3-yl)-3,4-dichlorobenzamide
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| Structure |
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| Formula |
C24H29BrCl2N4O2
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| Molecular Weight |
556.332
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| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OCCN3CCNCC3)c(Br)c2)C1
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| InChI |
InChI=1S/C24H29BrCl2N4O2/c25-20-13-17(1-4-23(20)33-12-11-30-9-6-28-7-10-30)15-31-8-5-19(16-31)29-24(32)18-2-3-21(26)22(27)14-18/h1-4,13-14,19,28H,5-12,15-16H2,(H,29,32)/t19-/m0/s1
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| InChIKey |
HBOMFIPWJMRXJO-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