General Information of the Compound
| Compound ID |
CP0502662
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| Compound Name |
3-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]hexyl]amino]-3-(4-hydroxyphenyl)propyl]amino]hexyl]amino]-3-(4-hydroxyphenyl)propyl]amino]propanamide
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| Structure |
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| Formula |
C51H80N10O5
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| Molecular Weight |
913.266
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| Canonical SMILES |
NCCCC[C@@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@H](CCCCN)NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C51H80N10O5/c52-24-3-1-5-42(33-60-44(32-56-26-23-51(55)66)28-38-9-17-48(63)18-10-38)59-36-46(30-40-13-21-50(65)22-14-40)61-34-43(6-2-4-25-53)58-35-45(29-39-11-19-49(64)20-12-39)57-31-41(54)27-37-7-15-47(62)16-8-37/h7-22,41-46,56-65H,1-6,23-36,52-54H2,(H2,55,66)/t41-,42-,43-,44-,45-,46-/m0/s1
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| InChIKey |
QQPSAGHLNPEJAS-JSHGGYKJSA-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