General Information of the Compound
| Compound ID |
CP0178626
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| Compound Name |
(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(4S)-2-[2-[benzyl(2-methylpropyl)amino]-2-oxoethyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C40H54N8O5
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| Molecular Weight |
726.923
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| Canonical SMILES |
CC(C)CN(Cc1ccccc1)C(=O)CN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O
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| InChI |
InChI=1S/C40H54N8O5/c1-25(2)21-47(22-28-11-6-5-7-12-28)36(50)24-48-23-30-14-9-8-13-29(30)19-35(39(48)53)46-38(52)34(15-10-16-44-40(42)43)45-37(51)33(41)20-32-26(3)17-31(49)18-27(32)4/h5-9,11-14,17-18,25,33-35,49H,10,15-16,19-24,41H2,1-4H3,(H,45,51)(H,46,52)(H4,42,43,44)/t33-,34+,35-/m0/s1
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| InChIKey |
HQVRNLIDCXUVHE-XFQWPLCWSA-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