General Information of the Compound
| Compound ID |
CP0433788
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| Compound Name |
3-[[(2S)-2-[[(2S)-2-[[(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]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 |
C69H92N10O8
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| Molecular Weight |
1189.557
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| Canonical SMILES |
C[C@@H](CN[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C69H92N10O8/c1-47(39-74-58(35-51-8-22-65(83)23-9-51)43-78-60(37-53-12-26-67(85)27-13-53)45-76-56(41-72-31-30-69(71)87)33-49-4-18-63(81)19-5-49)73-42-57(34-50-6-20-64(82)21-7-50)77-46-61(38-54-14-28-68(86)29-15-54)79-44-59(36-52-10-24-66(84)25-11-52)75-40-55(70)32-48-2-16-62(80)17-3-48/h2-29,47,55-61,72-86H,30-46,70H2,1H3,(H2,71,87)/t47-,55-,56-,57-,58-,59-,60-,61-/m0/s1
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| InChIKey |
WSONMTCNJYXQRC-WNEVREAVSA-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