General Information of the Compound
| Compound ID |
CP0470008
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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-(1H-indol-3-yl)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 |
C53H81N11O4
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| Molecular Weight |
936.304
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| Canonical SMILES |
NCCCC[C@@H](CN[C@H](CN[C@@H](CCCCN)CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)NC[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](N)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C53H81N11O4/c54-24-5-3-7-43(34-62-45(33-58-26-23-53(57)68)28-39-13-19-49(66)20-14-39)60-36-46(29-40-15-21-50(67)22-16-40)63-35-44(8-4-6-25-55)61-37-47(30-41-31-64-52-10-2-1-9-51(41)52)59-32-42(56)27-38-11-17-48(65)18-12-38/h1-2,9-22,31,42-47,58-67H,3-8,23-30,32-37,54-56H2,(H2,57,68)/t42-,43-,44-,45-,46-,47-/m0/s1
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| InChIKey |
WECZCZONCFRTLO-FQEQRRFLSA-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