General Information of the Compound
| Compound ID |
CP0511407
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| Compound Name |
4-(4-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid octylamide
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| Structure |
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| Formula |
C30H45ClN4O2
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| Molecular Weight |
529.169
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| Canonical SMILES |
CCCCCCCCNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C30H45ClN4O2/c1-2-3-4-5-6-7-18-33-30(37)35-20-16-28(17-21-35)34-27-13-11-24(12-14-27)15-19-32-23-29(36)25-9-8-10-26(31)22-25/h8-14,22,28-29,32,34,36H,2-7,15-21,23H2,1H3,(H,33,37)/t29-/m0/s1
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| InChIKey |
GMHPVSLVHCCFRS-LJAQVGFWSA-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