General Information of the Compound
| Compound ID |
CP0386319
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| Compound Name |
2-[(2S,5S,8S,11S,14S)-2-(4-aminobutyl)-8-(3-aminopropyl)-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 |
C30H55N11O8
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| Molecular Weight |
697.839
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CCNC1=O
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| InChI |
InChI=1S/C30H55N11O8/c1-17(2)15-21-25(45)35-14-10-23(42)37-18(7-3-4-11-31)26(46)41-22(16-24(43)44)29(49)39-19(8-5-12-32)27(47)38-20(28(48)40-21)9-6-13-36-30(33)34/h17-22H,3-16,31-32H2,1-2H3,(H,35,45)(H,37,42)(H,38,47)(H,39,49)(H,40,48)(H,41,46)(H,43,44)(H4,33,34,36)/t18-,19-,20-,21-,22-/m0/s1
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| InChIKey |
RHXLRGPYGRLBRC-YFNVTMOMSA-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