General Information of the Compound
| Compound ID |
CP0498349
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| Compound Name |
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[bis(dimethylamino)methylideneamino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C43H60N12O7
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| Molecular Weight |
857.03
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| Canonical SMILES |
CN(C)C(=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)N(C)C
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| InChI |
InChI=1S/C43H60N12O7/c1-54(2)43(55(3)4)48-26-36(57)49-33(24-29-17-10-6-11-18-29)39(60)53-35(27-56)41(62)52-34(25-30-19-12-7-13-20-30)40(61)50-31(21-14-22-47-42(45)46)38(59)51-32(37(44)58)23-28-15-8-5-9-16-28/h5-13,15-20,31-35,56H,14,21-27H2,1-4H3,(H2,44,58)(H,49,57)(H,50,61)(H,51,59)(H,52,62)(H,53,60)(H4,45,46,47)/t31-,32-,33-,34-,35-/m0/s1
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| InChIKey |
LYQBEHIYIHUDGI-ZZTWKDBPSA-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