General Information of the Compound
| Compound ID |
CP0871087
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| Compound Name |
2,2'-(methylazanediyl)bis(N-(22-(4-(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)NCCOCCOCCOCCOc1ccc(-c2nc(NC(=N)N)nc3ccc(Cl)cc23)cc1)CC(=O)NCCOCCOCCNC(=O)NCCOCCOCCOCCOc1ccc(-c2nc(NC(=N)N)nc3ccc(Cl)cc23)cc1
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| InChI |
InChI=1S/C65H91Cl2N17O16/c1-84(44-56(85)72-14-20-89-26-28-91-22-16-74-64(87)76-18-24-93-30-32-95-34-36-97-38-40-99-50-8-2-46(3-9-50)58-52-42-48(66)6-12-54(52)78-62(80-58)82-60(68)69)45-57(86)73-15-21-90-27-29-92-23-17-75-65(88)77-19-25-94-31-33-96-35-37-98-39-41-100-51-10-4-47(5-11-51)59-53-43-49(67)7-13-55(53)79-63(81-59)83-61(70)71/h2-13,42-43H,14-41,44-45H2,1H3,(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 |
YZNZRRSVCQZRNG-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