General Information of the Compound
| Compound ID |
CP0463515
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| Compound Name |
(2S)-6-amino-2-[[(2R)-2-[[[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-benzylcarbamoyl]amino]propanoyl]amino]hexanamide
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| Structure |
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| Formula |
C37H50N12O6
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| Molecular Weight |
758.885
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C37H50N12O6/c1-22(33(51)46-30(32(40)50)14-8-9-15-38)45-37(55)49(20-24-10-4-3-5-11-24)48-34(52)23(2)44-36(54)31(16-25-18-42-29-13-7-6-12-27(25)29)47-35(53)28(39)17-26-19-41-21-43-26/h3-7,10-13,18-19,21-23,28,30-31,42H,8-9,14-17,20,38-39H2,1-2H3,(H2,40,50)(H,41,43)(H,44,54)(H,45,55)(H,46,51)(H,47,53)(H,48,52)/t22-,23+,28+,30+,31-/m1/s1
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| InChIKey |
WYDHGNGESNONNQ-KDSGNBONSA-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