General Information of the Compound
| Compound ID |
CP0373938
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| Compound Name |
2-((3S,6R,11R,14R,20S,28aS)-11-amino-6-carbamoyl-20-(cyclohexylmethyl)-3-methyl-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 |
C31H49N9O10S2
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| Molecular Weight |
771.92
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| Canonical SMILES |
C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC2CCCCC2)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(N)=O
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| InChI |
InChI=1S/C31H49N9O10S2/c1-16-27(46)39-21(26(33)45)15-52-51-14-18(32)28(47)38-20(11-25(43)44)30(49)34-12-23(41)37-19(10-17-6-3-2-4-7-17)29(48)35-13-24(42)40-9-5-8-22(40)31(50)36-16/h16-22H,2-15,32H2,1H3,(H2,33,45)(H,34,49)(H,35,48)(H,36,50)(H,37,41)(H,38,47)(H,39,46)(H,43,44)/t16-,18-,19-,20+,21-,22-/m0/s1
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| InChIKey |
RZVOSDGWIUDIMY-SJUHIFAASA-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