General Information of the Compound
| Compound ID |
CP0506322
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| Compound Name |
3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]propanamide
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| Structure |
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| Formula |
C57H74N8O7
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| Molecular Weight |
983.268
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| Canonical SMILES |
N[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C57H74N8O7/c58-45(27-39-1-13-51(66)14-2-39)33-61-47(29-41-5-17-53(68)18-6-41)35-63-49(31-43-9-21-55(70)22-10-43)37-65-50(32-44-11-23-56(71)24-12-44)38-64-48(30-42-7-19-54(69)20-8-42)36-62-46(34-60-26-25-57(59)72)28-40-3-15-52(67)16-4-40/h1-24,45-50,60-71H,25-38,58H2,(H2,59,72)/t45-,46-,47-,48-,49-,50-/m0/s1
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| InChIKey |
RGYWSKGCSSSRTH-SHAHHZNSSA-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