General Information of the Compound
| Compound ID |
CP0476457
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| Compound Name |
(2S)-2-[[(3S,6S,15S,18S,21S)-6-amino-3-(4-aminobutyl)-18-[(4-hydroxyphenyl)methyl]-2,5,17,20-tetraoxo-8,13-dioxa-1,4,16,19-tetrazabicyclo[19.3.0]tetracos-10-ene-15-carbonyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C36H55N7O10
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| Molecular Weight |
745.875
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1COCC=CCOC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
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| InChI |
InChI=1S/C36H55N7O10/c1-22(2)18-28(36(50)51)41-33(47)29-21-53-17-6-5-16-52-20-25(38)31(45)39-26(8-3-4-14-37)35(49)43-15-7-9-30(43)34(48)40-27(32(46)42-29)19-23-10-12-24(44)13-11-23/h5-6,10-13,22,25-30,44H,3-4,7-9,14-21,37-38H2,1-2H3,(H,39,45)(H,40,48)(H,41,47)(H,42,46)(H,50,51)/t25-,26-,27-,28-,29-,30-/m0/s1
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| InChIKey |
UQMFZPRNRZVVCB-WPMUBMLPSA-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