General Information of the Compound
| Compound ID |
CP0570901
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| Compound Name |
2-[(2S,5S,8S,11S,14S)-2-(4-aminobutyl)-8-(2-aminoethyl)-11-[3-(diaminomethylideneamino)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 |
C29H53N11O8
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| Molecular Weight |
683.812
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CCNC1=O
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| InChI |
InChI=1S/C29H53N11O8/c1-16(2)14-20-24(44)34-13-9-22(41)36-17(6-3-4-10-30)25(45)40-21(15-23(42)43)28(48)38-19(8-11-31)27(47)37-18(26(46)39-20)7-5-12-35-29(32)33/h16-21H,3-15,30-31H2,1-2H3,(H,34,44)(H,36,41)(H,37,47)(H,38,48)(H,39,46)(H,40,45)(H,42,43)(H4,32,33,35)/t17-,18-,19-,20-,21-/m0/s1
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| InChIKey |
FOJOSIWGPNZMGV-SXYSDOLCSA-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