General Information of the Compound
| Compound ID |
CP0635703
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| Compound Name |
2-((3S,6R,11R,14R,20S,28aS)-11-amino-3-(2-amino-2-oxoethyl)-6-carbamoyl-27-hydroxy-20-isobutyl-1,4,12,15,18,21,24-heptaoxohexacosahydropyrrolo[2,1-j][1,2,5,8,11,14,17,20,23]dithiaheptaazacyclohexacosin-14-yl)acetic acid
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| Structure |
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| Formula |
C29H46N10O12S2
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| Molecular Weight |
790.879
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CNC1=O
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| InChI |
InChI=1S/C29H46N10O12S2/c1-12(2)3-15-26(48)34-8-22(43)39-9-13(40)4-19(39)29(51)37-16(5-20(31)41)28(50)38-18(24(32)46)11-53-52-10-14(30)25(47)36-17(6-23(44)45)27(49)33-7-21(42)35-15/h12-19,40H,3-11,30H2,1-2H3,(H2,31,41)(H2,32,46)(H,33,49)(H,34,48)(H,35,42)(H,36,47)(H,37,51)(H,38,50)(H,44,45)/t13-,14+,15+,16+,17-,18+,19+/m1/s1
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| InChIKey |
FQVZXBQWOKWVKW-QAZMUZRASA-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