General Information of the Compound
| Compound ID |
CP0430351
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| Compound Name |
(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-[[2-[[(2R)-2-amino-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanamide
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| Structure |
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| Formula |
C62H119N11O23
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| Molecular Weight |
1386.688
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| Canonical SMILES |
CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)C(N)=O
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| InChI |
InChI=1S/C62H119N11O23/c1-47(2)43-51(63)61(81)69-45-56(76)71-49(5)59(79)67-13-17-85-21-25-89-29-33-93-37-41-95-39-35-91-31-27-87-23-19-83-15-10-54(74)66-12-8-7-9-53(58(65)78)73-55(75)11-16-84-20-24-88-28-32-92-36-40-96-42-38-94-34-30-90-26-22-86-18-14-68-60(80)50(6)72-57(77)46-70-62(82)52(64)44-48(3)4/h47-53H,7-46,63-64H2,1-6H3,(H2,65,78)(H,66,74)(H,67,79)(H,68,80)(H,69,81)(H,70,82)(H,71,76)(H,72,77)(H,73,75)/t49-,50-,51-,52-,53+/m1/s1
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| InChIKey |
MYFKINQIDZCGEF-IXSLWHSPSA-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