General Information of the Compound
| Compound ID |
CP0578009
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| Compound Name |
(2S)-6-amino-2-[[(2S,5S,8S,11S,13Z,16S)-16-amino-2-[3-(diaminomethylideneamino)propyl]-8-(hydroxymethyl)-5-(2-methylpropyl)-3,6,9,17-tetraoxo-1,4,7,10-tetrazacycloheptadec-13-ene-11-carbonyl]amino]hexanoic acid
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| Structure |
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| Formula |
C29H52N10O8
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| Molecular Weight |
668.797
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)C\C=C/C[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O
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| InChI |
InChI=1S/C29H52N10O8/c1-16(2)14-21-26(44)39-22(15-40)27(45)36-18(24(42)37-20(28(46)47)10-5-6-12-30)9-4-3-8-17(31)23(41)35-19(25(43)38-21)11-7-13-34-29(32)33/h3-4,16-22,40H,5-15,30-31H2,1-2H3,(H,35,41)(H,36,45)(H,37,42)(H,38,43)(H,39,44)(H,46,47)(H4,32,33,34)/b4-3-/t17-,18-,19-,20-,21-,22-/m0/s1
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| InChIKey |
HISOUZQWCABVPP-WRRUFYKTSA-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