General Information of the Compound
| Compound ID |
CP0370269
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| Compound Name |
(S)-3-{(S)-2-[(R)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-5-amino-pentanoylamino}-N-((1S,2R)-1-{(1S,2R)-1-[(S)-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 |
C43H60N8O11
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| Molecular Weight |
864.998
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| Canonical SMILES |
CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccc(O)cc1)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/C43H60N8O11/c1-6-23(3)36(41(59)49-34(43(61)62)20-27-22-45-30-12-9-8-11-29(27)30)51-42(60)37(24(4)7-2)50-40(58)33(21-35(54)55)48-38(56)31(13-10-18-44)47-39(57)32(46-25(5)52)19-26-14-16-28(53)17-15-26/h8-9,11-12,14-17,22-24,31-34,36-37,45,53H,6-7,10,13,18-21,44H2,1-5H3,(H,46,52)(H,47,57)(H,48,56)(H,49,59)(H,50,58)(H,51,60)(H,54,55)(H,61,62)/t23-,24-,31+,32-,33+,34+,36+,37+/m1/s1
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| InChIKey |
HDCVHSOSPSFMCT-RNPQISIMSA-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