General Information of the Compound
| Compound ID |
CP0470557
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| Compound Name |
2-[3-[(2S,5S,11R,12E,14R)-14-[3-(diaminomethylideneamino)propyl]-11-[(4-hydroxyphenyl)methyl]-12,13-dimethyl-5-(naphthalen-2-ylmethyl)-3,6,9,15-tetraoxo-1,4,7,10-tetrazacyclopentadec-12-en-2-yl]propyl]guanidine
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| Structure |
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| Formula |
C39H52N10O5
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| Molecular Weight |
740.91
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| Canonical SMILES |
C\C1=C(C)/[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1
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| InChI |
InChI=1S/C39H52N10O5/c1-23-24(2)32(20-25-12-15-29(50)16-13-25)47-34(51)22-46-36(53)33(21-26-11-14-27-7-3-4-8-28(27)19-26)49-37(54)31(10-6-18-45-39(42)43)48-35(52)30(23)9-5-17-44-38(40)41/h3-4,7-8,11-16,19,30-33,50H,5-6,9-10,17-18,20-22H2,1-2H3,(H,46,53)(H,47,51)(H,48,52)(H,49,54)(H4,40,41,44)(H4,42,43,45)/b24-23+/t30-,31+,32-,33+/m1/s1
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| InChIKey |
QRXBSCHWFCNZSX-UOWXLKRASA-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