General Information of the Compound
| Compound ID |
CP0417937
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| Compound Name |
3-[[(2S)-2-[[(2S)-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]-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]propanamide
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| Structure |
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| Formula |
C54H77N9O6
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| Molecular Weight |
948.267
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| Canonical SMILES |
NCCCC[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](N)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C54H77N9O6/c55-25-2-1-3-44(60-35-46(29-40-8-18-51(66)19-9-40)59-32-43(56)27-38-4-14-49(64)15-5-38)34-61-47(30-41-10-20-52(67)21-11-41)37-63-48(31-42-12-22-53(68)23-13-42)36-62-45(33-58-26-24-54(57)69)28-39-6-16-50(65)17-7-39/h4-23,43-48,58-68H,1-3,24-37,55-56H2,(H2,57,69)/t43-,44-,45-,46-,47-,48-/m0/s1
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| InChIKey |
WWYKTPCLWFOTES-RYICAFHUSA-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