General Information of the Compound
| Compound ID |
CP0426362
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| Compound Name |
4-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)benzamide
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| Structure |
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| Formula |
C33H56N10O6
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| Molecular Weight |
688.875
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(N)cc1)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/C33H56N10O6/c1-7-20(6)27(43-31(48)25(16-19(4)5)42-29(46)21-10-12-22(34)13-11-21)32(49)39-17-26(44)40-23(9-8-14-38-33(36)37)30(47)41-24(28(35)45)15-18(2)3/h10-13,18-20,23-25,27H,7-9,14-17,34H2,1-6H3,(H2,35,45)(H,39,49)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,36,37,38)/t20-,23-,24-,25-,27-/m0/s1
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| InChIKey |
HIPQBJQFUKXPFP-HNRCJHGASA-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