General Information of the Compound
| Compound ID |
CP0417509
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| Compound Name |
2-[(2R)-2-amino-3-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-3-oxopropyl]sulfanylethyl octadecanoate
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| Structure |
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| Formula |
C27H52N2O6S
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| Molecular Weight |
532.788
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| Canonical SMILES |
CCCCCCCCCCCCCCCCCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC
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| InChI |
InChI=1S/C27H52N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(31)35-19-20-36-22-23(28)26(32)29-24(21-30)27(33)34-2/h23-24,30H,3-22,28H2,1-2H3,(H,29,32)/t23-,24-/m0/s1
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| InChIKey |
PCQNZFBQEIJLCN-ZEQRLZLVSA-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