General Information of the Compound
| Compound ID |
CP0061928
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| Compound Name |
(R)-3-{[(R)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-N-((1R,2S)-1-{(1R,2S)-1-[(R)-1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid
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| Structure |
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| Formula |
C43H57N7O10
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| Molecular Weight |
831.968
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| Canonical SMILES |
CC[C@H](C)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
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| InChI |
InChI=1S/C43H57N7O10/c1-6-24(3)36(40(56)47-33(43(59)60)21-28-23-44-30-17-12-11-16-29(28)30)49-41(57)37(25(4)7-2)48-38(54)31(22-35(52)53)46-39(55)34-18-13-19-50(34)42(58)32(45-26(5)51)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,44H,6-7,13,18-22H2,1-5H3,(H,45,51)(H,46,55)(H,47,56)(H,48,54)(H,49,57)(H,52,53)(H,59,60)/t24-,25-,31+,32+,33+,34+,36+,37+/m0/s1
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| InChIKey |
DEJOFTGYMOOOMQ-XHOJCBQOSA-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