General Information of the Compound
| Compound ID |
CP0503421
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C41H55N11O7
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| Molecular Weight |
813.961
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| Canonical SMILES |
CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C41H55N11O7/c1-2-29(49-39(58)32(22-27-15-8-4-9-16-27)48-35(54)25-47-34(53)24-42)37(56)52-33(23-28-17-10-5-11-18-28)40(59)50-30(19-12-20-46-41(44)45)38(57)51-31(36(43)55)21-26-13-6-3-7-14-26/h3-11,13-18,29-33H,2,12,19-25,42H2,1H3,(H2,43,55)(H,47,53)(H,48,54)(H,49,58)(H,50,59)(H,51,57)(H,52,56)(H4,44,45,46)/t29-,30-,31-,32-,33-/m0/s1
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| InChIKey |
BLPGOOVQJIDZLB-ZTTXAYQISA-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