General Information of the Compound
| Compound ID |
CP0513886
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| Compound Name |
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-[(2-piperazin-1-ylacetyl)amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
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| Structure |
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| Formula |
C42H57N11O7
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| Molecular Weight |
827.988
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C42H57N11O7/c43-37(56)32(23-28-11-4-1-5-12-28)50-38(57)31(17-10-18-47-42(44)45)49-40(59)34(25-30-15-8-3-9-16-30)51-41(60)35(27-54)52-39(58)33(24-29-13-6-2-7-14-29)48-36(55)26-53-21-19-46-20-22-53/h1-9,11-16,31-35,46,54H,10,17-27H2,(H2,43,56)(H,48,55)(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H4,44,45,47)/t31-,32-,33-,34-,35-/m0/s1
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| InChIKey |
OJNDXWSKBJQVMP-ZZTWKDBPSA-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