General Information of the Compound
| Compound ID |
CP0565972
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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]-(2-methylpropyl)carbamoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
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| Structure |
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| Formula |
C42H49N11O5
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| Molecular Weight |
787.926
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| Canonical SMILES |
CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C42H49N11O5/c1-25(2)23-53(52-41(57)37(18-28-21-47-34-15-9-7-13-31(28)34)50-39(55)32(43)19-29-22-45-24-48-29)42(58)51-36(17-27-20-46-33-14-8-6-12-30(27)33)40(56)49-35(38(44)54)16-26-10-4-3-5-11-26/h3-15,20-22,24-25,32,35-37,46-47H,16-19,23,43H2,1-2H3,(H2,44,54)(H,45,48)(H,49,56)(H,50,55)(H,51,58)(H,52,57)/t32-,35+,36-,37+/m0/s1
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| InChIKey |
BOGCSATYHBRXHJ-QGOWMMDNSA-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