General Information of the Compound
| Compound ID |
CP0524534
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| Compound Name |
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-{2-[(2S)-2-[(4-methoxyphenyl)formamido]-3-phenylpropanamido]acetamido}-4-methylpentanamide
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| Structure |
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| Formula |
C42H54N10O7
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| Molecular Weight |
810.957
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)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/C42H54N10O7/c1-25(2)20-34(49-36(53)24-48-39(56)35(21-26-10-5-4-6-11-26)52-38(55)27-15-17-29(59-3)18-16-27)41(58)50-32(14-9-19-46-42(44)45)40(57)51-33(37(43)54)22-28-23-47-31-13-8-7-12-30(28)31/h4-8,10-13,15-18,23,25,32-35,47H,9,14,19-22,24H2,1-3H3,(H2,43,54)(H,48,56)(H,49,53)(H,50,58)(H,51,57)(H,52,55)(H4,44,45,46)/t32-,33-,34-,35-/m0/s1
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| InChIKey |
FMBLTLNNNFAUOR-BBACVFHCSA-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