General Information of the Compound
| Compound ID |
CP0406623
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| Compound Name |
2-[3-[(2S,5S,11R,14S)-14-[2-(diaminomethylideneamino)ethyl]-11-[(4-hydroxyphenyl)methyl]-5-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
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| Structure |
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| Formula |
C35H45N11O6
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| Molecular Weight |
715.816
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| Canonical SMILES |
NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
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| InChI |
InChI=1S/C35H45N11O6/c36-34(37)40-14-3-6-25-31(50)46-27(18-21-7-10-22-4-1-2-5-23(22)16-21)30(49)42-19-29(48)43-28(17-20-8-11-24(47)12-9-20)33(52)45-26(32(51)44-25)13-15-41-35(38)39/h1-2,4-5,7-12,16,25-28,47H,3,6,13-15,17-19H2,(H,42,49)(H,43,48)(H,44,51)(H,45,52)(H,46,50)(H4,36,37,40)(H4,38,39,41)/t25-,26-,27-,28+/m0/s1
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| InChIKey |
XYNJMRDMTUJTTG-LAJGZZDBSA-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