General Information of the Compound
| Compound ID |
CP0389565
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| Compound Name |
(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(4S)-2-[3-[benzyl(2-methylpropyl)amino]-3-oxopropyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C41H56N8O5
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| Molecular Weight |
740.95
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| Canonical SMILES |
CC(C)CN(Cc1ccccc1)C(=O)CCN1Cc2ccccc2C[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/C41H56N8O5/c1-26(2)23-49(24-29-11-6-5-7-12-29)37(51)16-18-48-25-31-14-9-8-13-30(31)21-36(40(48)54)47-39(53)35(15-10-17-45-41(43)44)46-38(52)34(42)22-33-27(3)19-32(50)20-28(33)4/h5-9,11-14,19-20,26,34-36,50H,10,15-18,21-25,42H2,1-4H3,(H,46,52)(H,47,53)(H4,43,44,45)/t34-,35+,36-/m0/s1
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| InChIKey |
UQBIFHCYJANWAY-PDHQKIGBSA-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