General Information of the Compound
| Compound ID |
CP0406556
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| Compound Name |
(2S)-2-{2-[(2S)-2-[(3-aminophenyl)formamido]-3-phenylpropanamido]acetamido}-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-4-methylpentanamide
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| Structure |
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| Formula |
C41H53N11O6
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| Molecular Weight |
795.946
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C41H53N11O6/c1-24(2)18-33(49-35(53)23-48-38(56)34(19-25-10-4-3-5-11-25)52-37(55)26-12-8-13-28(42)20-26)40(58)50-31(16-9-17-46-41(44)45)39(57)51-32(36(43)54)21-27-22-47-30-15-7-6-14-29(27)30/h3-8,10-15,20,22,24,31-34,47H,9,16-19,21,23,42H2,1-2H3,(H2,43,54)(H,48,56)(H,49,53)(H,50,58)(H,51,57)(H,52,55)(H4,44,45,46)/t31-,32-,33-,34-/m0/s1
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| InChIKey |
ZTYRPERRPQHSIO-CUPIEXAXSA-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