General Information of the Compound
| Compound ID |
CP0463513
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| Compound Name |
(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]-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C41H46N12O6
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| Molecular Weight |
802.897
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H](Cc1ccccc1)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(N)=O
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| InChI |
InChI=1S/C41H46N12O6/c1-23(36(43)54)48-38(56)33(15-24-9-3-2-4-10-24)50-39(57)34(16-25-19-45-31-13-7-5-11-28(25)31)51-41(59)53-52-40(58)35(17-26-20-46-32-14-8-6-12-29(26)32)49-37(55)30(42)18-27-21-44-22-47-27/h2-14,19-23,30,33-35,45-46H,15-18,42H2,1H3,(H2,43,54)(H,44,47)(H,48,56)(H,49,55)(H,50,57)(H,52,58)(H2,51,53,59)/t23-,30-,33+,34-,35+/m0/s1
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| InChIKey |
DZNBXDMKQYSEME-HDRILCBFSA-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