General Information of the Compound
| Compound ID |
CP0463514
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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]carbamoylamino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]hexanamide
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| Structure |
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| Formula |
C38H49N13O6
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| Molecular Weight |
783.895
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| Canonical SMILES |
C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C38H49N13O6/c1-21(34(53)47-30(33(41)52)12-6-7-13-39)46-36(55)31(14-22-17-43-28-10-4-2-8-25(22)28)49-38(57)51-50-37(56)32(15-23-18-44-29-11-5-3-9-26(23)29)48-35(54)27(40)16-24-19-42-20-45-24/h2-5,8-11,17-21,27,30-32,43-44H,6-7,12-16,39-40H2,1H3,(H2,41,52)(H,42,45)(H,46,55)(H,47,53)(H,48,54)(H,50,56)(H2,49,51,57)/t21-,27+,30+,31+,32-/m1/s1
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| InChIKey |
IQEVVNJZRDZSBT-QDTWMEOJSA-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