General Information of the Compound
| Compound ID |
CP0421366
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| Compound Name |
2-[3-[(4R,7S,10S,13S)-10-[3-(diaminomethylideneamino)propyl]-4-[(4-hydroxyphenyl)methyl]-13-(naphthalen-2-ylmethyl)-2,5,8,14-tetraoxo-1,3,6,9,12-pentazacyclotetradec-7-yl]propyl]guanidine
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| Structure |
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| Formula |
C35H47N11O5
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| Molecular Weight |
701.833
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| Canonical SMILES |
NC(=N)NCCC[C@H]1CN[C@@H](Cc2ccc3ccccc3c2)C(=O)NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1
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| InChI |
InChI=1S/C35H47N11O5/c36-33(37)40-15-3-7-25-20-42-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(49)46-35(51)45-29(18-21-10-13-26(47)14-11-21)32(50)44-27(30(48)43-25)8-4-16-41-34(38)39/h1-2,5-6,9-14,17,25,27-29,42,47H,3-4,7-8,15-16,18-20H2,(H,43,48)(H,44,50)(H4,36,37,40)(H4,38,39,41)(H2,45,46,49,51)/t25-,27-,28-,29+/m0/s1
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| InChIKey |
JKANIVVWNSCSKL-RDPOUHODSA-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