General Information of the Compound
| Compound ID |
CP0526663
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| Compound Name |
2-[3-[(2S,5R,8R,14S)-5-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-14-methyl-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 |
C26H41N11O6
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| Molecular Weight |
603.685
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| Canonical SMILES |
C[C@@H]1NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC1=O
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| InChI |
InChI=1S/C26H41N11O6/c1-14-21(40)35-17(4-2-10-31-25(27)28)23(42)36-18(5-3-11-32-26(29)30)24(43)37-19(22(41)33-13-20(39)34-14)12-15-6-8-16(38)9-7-15/h6-9,14,17-19,38H,2-5,10-13H2,1H3,(H,33,41)(H,34,39)(H,35,40)(H,36,42)(H,37,43)(H4,27,28,31)(H4,29,30,32)/t14-,17-,18+,19+/m0/s1
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| InChIKey |
VYIHOVLWJMQDKM-WQANXHIZSA-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