General Information of the Compound
| Compound ID |
CP0526038
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| Compound Name |
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-hydrazinylacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
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| Structure |
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| Formula |
C40H54N12O8
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| Molecular Weight |
830.948
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| Canonical SMILES |
NNCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)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/C40H54N12O8/c41-35(56)29(19-25-11-4-1-5-12-25)50-36(57)28(17-10-18-45-40(42)43)49-38(59)31(21-27-15-8-3-9-16-27)51-39(60)32(24-53)52-37(58)30(20-26-13-6-2-7-14-26)48-34(55)22-46-33(54)23-47-44/h1-9,11-16,28-32,47,53H,10,17-24,44H2,(H2,41,56)(H,46,54)(H,48,55)(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H4,42,43,45)/t28-,29-,30-,31-,32-/m0/s1
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| InChIKey |
BLKXZINIWUMHPE-XDIGFQIYSA-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