General Information of the Compound
| Compound ID |
CP0471842
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| Compound Name |
N-[2-[[4-[2-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]ethyl]phenyl]carbamoylamino]phenyl]hexanamide
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| Structure |
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| Formula |
C32H39N5O4
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| Molecular Weight |
557.695
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| Canonical SMILES |
CCCCCC(=O)Nc1ccccc1NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1
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| InChI |
InChI=1S/C32H39N5O4/c1-2-3-4-12-31(39)36-28-8-5-6-9-29(28)37-32(40)35-24-15-13-23(14-16-24)17-19-33-21-25(38)22-41-30-11-7-10-27-26(30)18-20-34-27/h5-11,13-16,18,20,25,33-34,38H,2-4,12,17,19,21-22H2,1H3,(H,36,39)(H2,35,37,40)/t25-/m0/s1
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| InChIKey |
CBSHWMALABHMHH-VWLOTQADSA-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