General Information of the Compound
| Compound ID |
CP0374048
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| Compound Name |
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide
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| Synonyms |
CHEMBL437915
FGGFTGARKSARKL
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| Structure |
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| Formula |
C67H111N23O16
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| Molecular Weight |
1494.77
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
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| InChI |
InChI=1S/C67H111N23O16/c1-37(2)30-48(55(71)96)88-61(102)44(22-12-14-26-68)86-60(101)47(25-17-29-77-67(74)75)85-57(98)39(4)82-64(105)50(36-91)89-62(103)45(23-13-15-27-69)87-59(100)46(24-16-28-76-66(72)73)84-56(97)38(3)81-52(94)35-80-65(106)54(40(5)92)90-63(104)49(32-42-20-10-7-11-21-42)83-53(95)34-78-51(93)33-79-58(99)43(70)31-41-18-8-6-9-19-41/h6-11,18-21,37-40,43-50,54,91-92H,12-17,22-36,68-70H2,1-5H3,(H2,71,96)(H,78,93)(H,79,99)(H,80,106)(H,81,94)(H,82,105)(H,83,95)(H,84,97)(H,85,98)(H,86,101)(H,87,100)(H,88,102)(H,89,103)(H,90,104)(H4,72,73,76)(H4,74,75,77)/t38-,39-,40+,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
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| InChIKey |
LZQNOYOFRMAEJW-SYMNRJDYSA-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
Clinical Information about the Compound