General Information of the Compound
| Compound ID |
CP0877308
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| Compound Name |
2,2'-(methylazanediyl)bis(N-(19-(4-(3-(6-chloro-2-guanidinoquinazolin-4-yl)phenyl)piperazin-1-yl)-10-oxo-3,6,14,17-tetraoxa-9,11-diazanonadecyl)acetamide)
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| Structure |
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| Formula |
C69H99Cl2N21O12
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| Molecular Weight |
1485.592
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| Canonical SMILES |
CN(CC(=O)NCCOCCOCCNC(=O)NCCOCCOCCN1CCN(c2cccc(-c3nc(NC(=N)N)nc4ccc(Cl)cc34)c2)CC1)CC(=O)NCCOCCOCCNC(=O)NCCOCCOCCN1CCN(c2cccc(-c3nc(NC(=N)N)nc4ccc(Cl)cc34)c2)CC1
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| InChI |
InChI=1S/C69H99Cl2N21O12/c1-88(48-60(93)76-12-28-97-36-38-99-30-14-78-68(95)80-16-32-101-40-42-103-34-26-89-18-22-91(23-19-89)54-6-2-4-50(44-54)62-56-46-52(70)8-10-58(56)82-66(84-62)86-64(72)73)49-61(94)77-13-29-98-37-39-100-31-15-79-69(96)81-17-33-102-41-43-104-35-27-90-20-24-92(25-21-90)55-7-3-5-51(45-55)63-57-47-53(71)9-11-59(57)83-67(85-63)87-65(74)75/h2-11,44-47H,12-43,48-49H2,1H3,(H,76,93)(H,77,94)(H2,78,80,95)(H2,79,81,96)(H4,72,73,82,84,86)(H4,74,75,83,85,87)
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| InChIKey |
GSNYOOAKMQTEJK-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