General Information of the Compound
| Compound ID |
CP0548248
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| Compound Name |
pentyl N-[4-[[4-[2-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]ethyl]phenyl]carbamoylamino]phenyl]carbamate
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| Structure |
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| Formula |
C32H39N5O5
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| Molecular Weight |
573.694
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| Canonical SMILES |
CCCCCOC(=O)Nc1ccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)cc1
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| InChI |
InChI=1S/C32H39N5O5/c1-2-3-4-20-41-32(40)37-26-14-12-25(13-15-26)36-31(39)35-24-10-8-23(9-11-24)16-18-33-21-27(38)22-42-30-7-5-6-29-28(30)17-19-34-29/h5-15,17,19,27,33-34,38H,2-4,16,18,20-22H2,1H3,(H,37,40)(H2,35,36,39)/t27-/m0/s1
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| InChIKey |
DQPJVGVLIFFKTJ-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