General Information of the Compound
| Compound ID |
CP0471609
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| Compound Name |
2-[4-[(2S,5S,8S,11S,14R)-5-[4-(diaminomethylideneamino)butyl]-14-[(2-fluorophenyl)methyl]-4,10-dimethyl-11-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butyl]guanidine
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| Structure |
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| Formula |
C51H62FN11O5
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| Molecular Weight |
928.127
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| Canonical SMILES |
CN1[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccccc2F)C(=O)N[C@@H](CCCCNC(N)=N)C1=O
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| InChI |
InChI=1S/C51H62FN11O5/c1-62-43(23-10-12-27-58-51(55)56)46(65)61-42(29-32-24-25-33-14-3-4-16-35(33)28-32)49(68)63(2)44(31-36-19-13-18-34-15-5-7-20-38(34)36)47(66)60-41(30-37-17-6-8-21-39(37)52)45(64)59-40(48(62)67)22-9-11-26-57-50(53)54/h3-8,13-21,24-25,28,40-44H,9-12,22-23,26-27,29-31H2,1-2H3,(H,59,64)(H,60,66)(H,61,65)(H4,53,54,57)(H4,55,56,58)/t40-,41+,42-,43-,44-/m0/s1
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| InChIKey |
FQTWFTGLZUNMAL-RSKNNDJWSA-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