General Information of the Compound
| Compound ID |
CP0408480
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| Compound Name |
2-[2-[2-[[(4S)-5-amino-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentyl]amino]ethoxy]ethoxy]ethyl hexadecanoate
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| Structure |
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| Formula |
C57H105N13O11S
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| Molecular Weight |
1180.614
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)OCCOCCOCCNCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1csc(N)n1)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C57H105N13O11S/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-26-48(72)81-34-33-80-32-31-79-30-29-62-27-22-24-42(50(58)73)66-52(75)44(35-39(3)4)67-51(74)43(25-23-28-63-56(59)60)65-47(71)37-64-55(78)49(41(7)9-2)70-53(76)45(36-40(5)6)68-54(77)46-38-82-57(61)69-46/h38-45,49,62H,8-37H2,1-7H3,(H2,58,73)(H2,61,69)(H,64,78)(H,65,71)(H,66,75)(H,67,74)(H,68,77)(H,70,76)(H4,59,60,63)/t41-,42-,43-,44-,45-,49-/m0/s1
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| InChIKey |
VVWZRYNZDJZHRH-PZFROFPVSA-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