General Information of the Compound
| Compound ID |
CP0424194
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| Compound Name |
2-[(2R)-2-(butanoylamino)-3-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-3-oxopropyl]sulfanylethyl hexadecanoate
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| Structure |
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| Formula |
C29H54N2O7S
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| Molecular Weight |
574.825
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)CCC)C(=O)N[C@@H](CO)C(=O)OC
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| InChI |
InChI=1S/C29H54N2O7S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-27(34)38-20-21-39-23-25(30-26(33)18-5-2)28(35)31-24(22-32)29(36)37-3/h24-25,32H,4-23H2,1-3H3,(H,30,33)(H,31,35)/t24-,25-/m0/s1
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| InChIKey |
VKWDSGODDRRWIN-DQEYMECFSA-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