General Information of the Compound
| Compound ID |
CP0463211
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| Compound Name |
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-4-methyl-2-{2-[(2S)-3-phenyl-2-(phenylformamido)propanamido]acetamido}pentanamide
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| Structure |
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| Formula |
C41H52N10O6
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| Molecular Weight |
780.931
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)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/C41H52N10O6/c1-25(2)20-33(48-35(52)24-47-38(55)34(21-26-12-5-3-6-13-26)51-37(54)27-14-7-4-8-15-27)40(57)49-31(18-11-19-45-41(43)44)39(56)50-32(36(42)53)22-28-23-46-30-17-10-9-16-29(28)30/h3-10,12-17,23,25,31-34,46H,11,18-22,24H2,1-2H3,(H2,42,53)(H,47,55)(H,48,52)(H,49,57)(H,50,56)(H,51,54)(H4,43,44,45)/t31-,32-,33-,34-/m0/s1
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| InChIKey |
SOQTYOMLXYNHBC-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