General Information of the Compound
| Compound ID |
CP0417935
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| Compound Name |
3-[[(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]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 |
C60H81N9O7
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| Molecular Weight |
1040.364
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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](N)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C60H81N9O7/c1-41(64-37-50(30-44-6-18-56(72)19-7-44)68-39-52(32-46-10-22-58(74)23-11-46)66-35-48(61)28-42-2-14-54(70)15-3-42)34-65-51(31-45-8-20-57(73)21-9-45)38-69-53(33-47-12-24-59(75)25-13-47)40-67-49(36-63-27-26-60(62)76)29-43-4-16-55(71)17-5-43/h2-25,41,48-53,63-75H,26-40,61H2,1H3,(H2,62,76)/t41-,48-,49-,50-,51-,52-,53-/m0/s1
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| InChIKey |
KQOYTJCYDREELC-WGTMLAFGSA-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