General Information of the Compound
| Compound ID |
CP0569074
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| Compound Name |
N-[2-[4-amino-6-[3-methyl-4-[[4-(2-methylpropyl)-2-oxopiperazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyethyl]-N-methylprop-2-enamide
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| Structure |
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| Formula |
C26H36N6O3
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| Molecular Weight |
480.613
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| Canonical SMILES |
CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1
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| InChI |
InChI=1S/C26H36N6O3/c1-6-22(33)30(5)11-12-35-25-24(28-17-29-26(25)27)20-7-8-21(19(4)13-20)15-32-10-9-31(14-18(2)3)16-23(32)34/h6-8,13,17-18H,1,9-12,14-16H2,2-5H3,(H2,27,28,29)
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| InChIKey |
HGYLDYXQKAISMX-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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