General Information of the Compound
| Compound ID |
CP0441865
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| Compound Name |
2-[3-[(2R,5R,11S,14S)-5-[(4-hydroxyphenyl)methyl]-14-methyl-11-(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 |
C33H40N8O6
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| Molecular Weight |
644.733
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| Canonical SMILES |
C[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O
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| InChI |
InChI=1S/C33H40N8O6/c1-19-29(44)40-25(7-4-14-36-33(34)35)31(46)41-26(16-20-9-12-24(42)13-10-20)30(45)37-18-28(43)39-27(32(47)38-19)17-21-8-11-22-5-2-3-6-23(22)15-21/h2-3,5-6,8-13,15,19,25-27,42H,4,7,14,16-18H2,1H3,(H,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,46)(H4,34,35,36)/t19-,25+,26+,27-/m0/s1
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| InChIKey |
QQWQYHBNRPWHMR-QFVISEIPSA-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