General Information of the Compound
| Compound ID |
CP0433791
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| Compound Name |
3-[[(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]-3-(4-hydroxyphenyl)propyl]amino]propanamide
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| Structure |
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| Formula |
C48H63N7O6
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| Molecular Weight |
834.075
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| Canonical SMILES |
N[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C48H63N7O6/c49-38(23-33-1-11-43(56)12-2-33)28-52-40(25-35-5-15-45(58)16-6-35)30-54-42(27-37-9-19-47(60)20-10-37)32-55-41(26-36-7-17-46(59)18-8-36)31-53-39(29-51-22-21-48(50)61)24-34-3-13-44(57)14-4-34/h1-20,38-42,51-60H,21-32,49H2,(H2,50,61)/t38-,39-,40-,41-,42-/m0/s1
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| InChIKey |
NLKWIAJYCMNCSM-FDXDWZSASA-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