General Information of the Compound
| Compound ID |
CP0566168
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| Compound Name |
2-[(2S,5S,8S,11S,14S)-2,8-bis(4-aminobutyl)-11-[3-[[amino(nitramido)methylidene]amino]propyl]-14-(2-methylpropyl)-3,6,9,12,15,19-hexaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetic acid
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| Structure |
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| Formula |
C31H56N12O10
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| Molecular Weight |
756.863
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CCNC1=O
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| InChI |
InChI=1S/C31H56N12O10/c1-18(2)16-22-26(47)35-15-11-24(44)37-19(8-3-5-12-32)27(48)41-23(17-25(45)46)30(51)39-20(9-4-6-13-33)28(49)38-21(29(50)40-22)10-7-14-36-31(34)42-43(52)53/h18-23H,3-17,32-33H2,1-2H3,(H,35,47)(H,37,44)(H,38,49)(H,39,51)(H,40,50)(H,41,48)(H,45,46)(H3,34,36,42)/t19-,20-,21-,22-,23-/m0/s1
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| InChIKey |
LXNMDFAQEFKNAT-VUBDRERZSA-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