General Information of the Compound
| Compound ID |
CP0038259
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| Compound Name |
(3-(9-(1-(4-(3-(dimethylamino)propoxy)benzyl)piperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
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| Structure |
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| Formula |
C33H43N7O3
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| Molecular Weight |
585.753
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cccc(CO)c2)N2CCOCC2)cc1
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| InChI |
InChI=1S/C33H43N7O3/c1-37(2)13-4-18-43-29-9-7-25(8-10-29)22-38-14-11-28(12-15-38)40-24-34-30-32(39-16-19-42-20-17-39)35-31(36-33(30)40)27-6-3-5-26(21-27)23-41/h3,5-10,21,24,28,41H,4,11-20,22-23H2,1-2H3
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| InChIKey |
PPKZLTMKAKJNMK-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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