General Information of the Compound
| Compound ID |
CP0397144
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| Compound Name |
N'-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]pentanediamide
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| Structure |
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| Formula |
C41H54N10O8
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| Molecular Weight |
814.945
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| Canonical SMILES |
CN1[C@H](CCCNC(=O)CCCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C1=O
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| InChI |
InChI=1S/C41H54N10O8/c1-51-33(10-6-19-45-35(54)12-4-11-34(42)53)39(58)49-30(9-5-20-46-41(43)44)38(57)50-31(23-26-13-16-27-7-2-3-8-28(27)21-26)37(56)47-24-36(55)48-32(40(51)59)22-25-14-17-29(52)18-15-25/h2-3,7-8,13-18,21,30-33,52H,4-6,9-12,19-20,22-24H2,1H3,(H2,42,53)(H,45,54)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H4,43,44,46)/t30-,31-,32+,33+/m0/s1
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| InChIKey |
GZSLZCXVEDTPCH-UYEZAFAQSA-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