General Information of the Compound
| Compound ID |
CP0440865
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| Compound Name |
(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]acetyl]-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C47H84N18O11
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| Molecular Weight |
1077.304
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
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| InChI |
InChI=1S/C47H84N18O11/c1-25(2)23-33(37(49)68)63-43(74)34-16-11-21-64(34)36(67)24-56-41(72)30(13-7-8-18-48)61-40(71)28(5)58-38(69)26(3)57-39(70)27(4)59-42(73)31(14-9-19-54-46(50)51)62-44(75)35-17-12-22-65(35)45(76)32(60-29(6)66)15-10-20-55-47(52)53/h25-28,30-35H,7-24,48H2,1-6H3,(H2,49,68)(H,56,72)(H,57,70)(H,58,69)(H,59,73)(H,60,66)(H,61,71)(H,62,75)(H,63,74)(H4,50,51,54)(H4,52,53,55)/t26-,27-,28-,30-,31-,32-,33-,34-,35-/m0/s1
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| InChIKey |
QLGIVBLGFAVEIP-MYORVSQBSA-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