General Information of the Compound
| Compound ID |
CP0157890
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| Compound Name |
(S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-acetamido-5-guanidinopentanamido)-6-aminohexanoyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3,3-dimethylbutanamido)-4-methylpentanoic acid
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| Structure |
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| Formula |
C42H67N11O8
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| Molecular Weight |
854.067
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(C)(C)C)C(O)=O
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| InChI |
InChI=1S/C42H67N11O8/c1-24(2)21-32(40(60)61)51-38(58)34(42(4,5)6)52-36(56)31(22-26-23-47-28-14-8-7-13-27(26)28)50-37(57)33-17-12-20-53(33)39(59)30(15-9-10-18-43)49-35(55)29(48-25(3)54)16-11-19-46-41(44)45/h7-8,13-14,23-24,29-34,47H,9-12,15-22,43H2,1-6H3,(H,48,54)(H,49,55)(H,50,57)(H,51,58)(H,52,56)(H,60,61)(H4,44,45,46)/t29-,30-,31-,32-,33-,34+/m0/s1
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| InChIKey |
JISNAPFUUFMEMB-SKYWUHBASA-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