General Information of the Compound
| Compound ID |
CP0383301
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| Compound Name |
(2S)-2-[[2-[(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-oxo-1,4,5,10-tetrahydroazepino[3,4-b]indol-2-yl]acetyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C43H53N7O8
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| Molecular Weight |
795.938
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H]1Cc2c(CN(CC(=O)N[C@@H](Cc3ccccc3)C(O)=O)C1=O)[nH]c1ccccc21
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| InChI |
InChI=1S/C43H53N7O8/c1-5-25(4)38(49-39(53)32(47-40(54)37(44)24(2)3)19-27-15-17-28(51)18-16-27)41(55)48-33-21-30-29-13-9-10-14-31(29)45-35(30)22-50(42(33)56)23-36(52)46-34(43(57)58)20-26-11-7-6-8-12-26/h6-18,24-25,32-34,37-38,45,51H,5,19-23,44H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)/t25-,32-,33-,34-,37-,38-/m0/s1
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| InChIKey |
QDRSFSCJGCLRQY-JEJWZYELSA-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
Protein ID: PT01820, Aminopeptidase N
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase