General Information of the Compound
| Compound ID |
CP0392273
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| Compound Name |
(2S)-2,6-diamino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide
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| Structure |
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| Formula |
C47H65N9O6
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| Molecular Weight |
852.094
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(N)=O
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| InChI |
InChI=1S/C47H65N9O6/c1-29(2)23-37(42(50)57)52-44(59)38(24-30(3)4)54-47(62)41(27-33-28-51-36-21-12-11-19-34(33)36)56-46(61)40(26-32-17-9-6-10-18-32)55-45(60)39(25-31-15-7-5-8-16-31)53-43(58)35(49)20-13-14-22-48/h5-12,15-19,21,28-30,35,37-41,51H,13-14,20,22-27,48-49H2,1-4H3,(H2,50,57)(H,52,59)(H,53,58)(H,54,62)(H,55,60)(H,56,61)/t35-,37-,38-,39+,40-,41+/m0/s1
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| InChIKey |
HNTAESRRNIPPKP-CTVKABANSA-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