General Information of the Compound
| Compound ID |
CP0339720
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| Compound Name |
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(1R)-2-carbamoyl-1-(furan-2-yl)prop-2-enyl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C32H40N8O6
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| Molecular Weight |
632.722
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| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1
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| InChI |
InChI=1S/C32H40N8O6/c1-19(28(34)42)27(26-10-6-16-46-26)40-31(45)25(18-20-7-3-2-4-8-20)39-30(44)24(9-5-15-37-32(35)36)38-29(43)23(33)17-21-11-13-22(41)14-12-21/h2-4,6-8,10-14,16,23-25,27,41H,1,5,9,15,17-18,33H2,(H2,34,42)(H,38,43)(H,39,44)(H,40,45)(H4,35,36,37)/t23-,24+,25-,27+/m0/s1
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| InChIKey |
GASMYTNMNVFTEF-ZJMAKVHZSA-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