General Information of the Compound
| Compound ID |
CP0404961
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| Compound Name |
2-amino-N-((4S,7S,13S,16S)-13-sec-butyl-4-carbamoyl-7-(3-guanidinopropyl)-2,18-dimethyl-6,9,12,15-tetraoxo-5,8,11,14-tetraazanonadecan-16-yl)thiazole-4-carboxamide
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| Structure |
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| Formula |
C30H53N11O6S
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| Molecular Weight |
695.892
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1csc(N)n1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O
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| InChI |
InChI=1S/C30H53N11O6S/c1-7-17(6)23(41-26(45)20(12-16(4)5)39-27(46)21-14-48-30(34)40-21)28(47)36-13-22(42)37-18(9-8-10-35-29(32)33)25(44)38-19(24(31)43)11-15(2)3/h14-20,23H,7-13H2,1-6H3,(H2,31,43)(H2,34,40)(H,36,47)(H,37,42)(H,38,44)(H,39,46)(H,41,45)(H4,32,33,35)/t17-,18-,19-,20-,23-/m0/s1
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| InChIKey |
OWFXUHQZBUORSA-LUVDPRQJSA-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