General Information of the Compound
| Compound ID |
CP0456616
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| Compound Name |
(2S)-2-[[(2R)-2-amino-3-[(2R)-3-[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetyl]oxy-2-hexadecanoyloxypropyl]sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
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| Structure |
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| Formula |
C37H74N6O8S
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| Molecular Weight |
763.1
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CNCCCNCCCCNCCCN)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O
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| InChI |
InChI=1S/C37H74N6O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-34(45)51-31(29-52-30-32(39)36(47)43-33(27-44)37(48)49)28-50-35(46)26-42-25-18-24-41-22-16-15-21-40-23-17-20-38/h31-33,40-42,44H,2-30,38-39H2,1H3,(H,43,47)(H,48,49)/t31-,32+,33+/m1/s1
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| InChIKey |
FIGWMFYUXCNXCY-CEUYOYMZSA-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