General Information of the Compound
| Compound ID |
CP0344957
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| Compound Name |
(2R)-N-[3-[5-methyl-2-[(2-methylpyridin-3-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propanamide
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| Structure |
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| Formula |
C27H32N8O
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| Molecular Weight |
484.608
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| Canonical SMILES |
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2C)ncc1C
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| InChI |
InChI=1S/C27H32N8O/c1-17-15-30-27(32-22-9-6-10-28-18(22)2)33-24(17)21-16-29-25-20(21)7-5-8-23(25)31-26(36)19(3)35-13-11-34(4)12-14-35/h5-10,15-16,19,29H,11-14H2,1-4H3,(H,31,36)(H,30,32,33)/t19-/m1/s1
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| InChIKey |
HXYKZHKEUGZUBG-LJQANCHMSA-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