General Information of the Compound
| Compound ID |
CP0456432
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| Compound Name |
3-(2-chlorophenyl)-1-[4-(dimethylamino)phenyl]-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
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| Structure |
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| Formula |
C23H27ClN6O2
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| Molecular Weight |
454.962
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| Canonical SMILES |
COC[C@H](C)Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C23H27ClN6O2/c1-16(15-32-4)26-22-25-14-13-21(28-22)30(18-11-9-17(10-12-18)29(2)3)23(31)27-20-8-6-5-7-19(20)24/h5-14,16H,15H2,1-4H3,(H,27,31)(H,25,26,28)/t16-/m0/s1
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| InChIKey |
LUYRVCMZZIODRL-INIZCTEOSA-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