General Information of the Compound
| Compound ID |
CP0877304
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| Compound Name |
N1,N25-bis(2-(2-(2-(2-(4-(3-(6-chloro-2-guanidinoquinazolin-4-yl)phenyl)piperazin-1-yl)ethoxy)ethoxy)ethoxy)ethyl)-4,7,10,13,16,19,22-heptaoxapentacosane-1,25-diamide
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| Structure |
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| Formula |
C72H104Cl2N16O15
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| Molecular Weight |
1504.627
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| Canonical SMILES |
N=C(N)Nc1nc(-c2cccc(N3CCN(CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCN4CCN(c5cccc(-c6nc(NC(=N)N)nc7ccc(Cl)cc67)c5)CC4)CC3)c2)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C72H104Cl2N16O15/c73-57-7-9-63-61(53-57)67(83-71(81-63)85-69(75)76)55-3-1-5-59(51-55)89-19-15-87(16-20-89)23-29-97-35-41-101-39-33-95-27-13-79-65(91)11-25-93-31-37-99-43-45-103-47-49-105-50-48-104-46-44-100-38-32-94-26-12-66(92)80-14-28-96-34-40-102-42-36-98-30-24-88-17-21-90(22-18-88)60-6-2-4-56(52-60)68-62-54-58(74)8-10-64(62)82-72(84-68)86-70(77)78/h1-10,51-54H,11-50H2,(H,79,91)(H,80,92)(H4,75,76,81,83,85)(H4,77,78,82,84,86)
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| InChIKey |
JUENXYMZJNWYHJ-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