General Information of the Compound
| Compound ID |
CP0487201
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| Compound Name |
2-[3-[(2S,5R,8R,11R,12Z)-8-[3-(diaminomethylideneamino)propyl]-2-[(4-hydroxyphenyl)methyl]-11-(naphthalen-2-ylmethyl)-3,6,9,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-en-5-yl]propyl]guanidine
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| Structure |
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| Formula |
C36H46N10O5
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| Molecular Weight |
698.829
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| Canonical SMILES |
NC(=N)NCCC[C@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)\C=C/[C@@H](Cc2ccc3ccccc3c2)NC1=O
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| InChI |
InChI=1S/C36H46N10O5/c37-35(38)41-17-3-7-28-32(49)43-26(20-23-9-12-24-5-1-2-6-25(24)19-23)13-16-31(48)44-30(21-22-10-14-27(47)15-11-22)34(51)46-29(33(50)45-28)8-4-18-42-36(39)40/h1-2,5-6,9-16,19,26,28-30,47H,3-4,7-8,17-18,20-21H2,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,42)/b16-13-/t26-,28+,29+,30-/m0/s1
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| InChIKey |
HNDKSLSVZSSSIT-MVWMGFIASA-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