General Information of the Compound
| Compound ID |
CP0360853
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| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S,3R)-2-[[(2S)-2-aminohexanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C41H59N11O7
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| Molecular Weight |
817.993
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| Canonical SMILES |
CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
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| InChI |
InChI=1S/C41H59N11O7/c1-3-4-15-28(42)36(55)51-34(24(2)53)40(59)52-20-11-18-33(52)39(58)50-31(21-25-12-6-5-7-13-25)37(56)49-32(22-26-23-47-29-16-9-8-14-27(26)29)38(57)48-30(35(43)54)17-10-19-46-41(44)45/h5-9,12-14,16,23-24,28,30-34,47,53H,3-4,10-11,15,17-22,42H2,1-2H3,(H2,43,54)(H,48,57)(H,49,56)(H,50,58)(H,51,55)(H4,44,45,46)/t24-,28+,30+,31+,32+,33+,34+/m1/s1
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| InChIKey |
AJFDPFJFPPPGKD-DNBONZEVSA-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