General Information of the Compound
| Compound ID |
CP0913933
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| Compound Name |
2,2'-(methylazanediyl)bis(N-(22-(3-(6-chloro-2-guanidinoquinazolin-4-yl)phenoxy)-10-oxo-3,6,14,17,20-pentaoxa-9,11-diazadocosyl)acetamide)
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| Structure |
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| Formula |
C65H91Cl2N17O16
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| Molecular Weight |
1437.452
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| Canonical SMILES |
CN(CC(=O)NCCOCCOCCNC(=O)NCCOCCOCCOCCOc1cccc(-c2nc(NC(=N)N)nc3ccc(Cl)cc23)c1)CC(=O)NCCOCCOCCNC(=O)NCCOCCOCCOCCOc1cccc(-c2nc(NC(=N)N)nc3ccc(Cl)cc23)c1
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| InChI |
InChI=1S/C65H91Cl2N17O16/c1-84(44-56(85)72-12-18-89-24-26-91-20-14-74-64(87)76-16-22-93-28-30-95-32-34-97-36-38-99-50-6-2-4-46(40-50)58-52-42-48(66)8-10-54(52)78-62(80-58)82-60(68)69)45-57(86)73-13-19-90-25-27-92-21-15-75-65(88)77-17-23-94-29-31-96-33-35-98-37-39-100-51-7-3-5-47(41-51)59-53-43-49(67)9-11-55(53)79-63(81-59)83-61(70)71/h2-11,40-43H,12-39,44-45H2,1H3,(H,72,85)(H,73,86)(H2,74,76,87)(H2,75,77,88)(H4,68,69,78,80,82)(H4,70,71,79,81,83)
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| InChIKey |
DPHPLWGDZGMANI-UHFFFAOYSA-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
Protein ID: PT03762, Sodium/hydrogen exchanger 3
Protein ID: PT04309, Sodium/hydrogen exchanger 3