General Information of the Compound
| Compound ID |
CP0046414
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| Compound Name |
(2S)-N-[3-(aminomethyl)phenyl]-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanamide
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| Structure |
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| Formula |
C26H32N4O6S
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| Molecular Weight |
528.631
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| Canonical SMILES |
COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(CN)c1
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| InChI |
InChI=1S/C26H32N4O6S/c1-26(19-8-10-21(36-2)11-9-19,25(33)29-20-6-4-5-17(13-20)15-27)28-16-24(32)18-7-12-23(31)22(14-18)30-37(3,34)35/h4-14,24,28,30-32H,15-16,27H2,1-3H3,(H,29,33)/t24-,26-/m0/s1
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| InChIKey |
IWNSJKLSAWLPNI-AHWVRZQESA-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