General Information of the Compound
| Compound ID |
CP0496221
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| Compound Name |
4-(4-{2-[(S)-3-(6-Amino-pyridin-3-yloxy)-2-hydroxy-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid octylamide
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| Structure |
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| Formula |
C30H48N6O3
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| Molecular Weight |
540.753
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| Canonical SMILES |
CCCCCCCCNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
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| InChI |
InChI=1S/C30H48N6O3/c1-2-3-4-5-6-7-17-33-30(38)36-19-15-26(16-20-36)35-25-10-8-24(9-11-25)14-18-32-21-27(37)23-39-28-12-13-29(31)34-22-28/h8-13,22,26-27,32,35,37H,2-7,14-21,23H2,1H3,(H2,31,34)(H,33,38)/t27-/m0/s1
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| InChIKey |
DITLKAVAKWGCTE-MHZLTWQESA-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