General Information of the Compound
| Compound ID |
CP0372636
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| Compound Name |
2-[3-[(2S,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-8-(naphthalen-2-ylmethyl)-3,6,12,15-tetraoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
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| Structure |
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| Formula |
C36H49N11O5
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| Molecular Weight |
715.86
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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)CNC[C@H](Cc2ccc3ccccc3c2)NC1=O
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| InChI |
InChI=1S/C36H49N11O5/c37-35(38)42-15-3-7-28-32(50)44-26(18-23-9-12-24-5-1-2-6-25(24)17-23)20-41-21-31(49)45-30(19-22-10-13-27(48)14-11-22)34(52)47-29(33(51)46-28)8-4-16-43-36(39)40/h1-2,5-6,9-14,17,26,28-30,41,48H,3-4,7-8,15-16,18-21H2,(H,44,50)(H,45,49)(H,46,51)(H,47,52)(H4,37,38,42)(H4,39,40,43)/t26-,28-,29-,30+/m0/s1
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| InChIKey |
JBHBNSDPTJEGGW-ZVVXMFRTSA-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