General Information of the Compound
| Compound ID |
CP0552398
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| Compound Name |
1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-3-(2-methylphenyl)-1-phenylurea
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| Structure |
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
COC[C@H](C)Nc1nccc(n1)N(C(=O)Nc1ccccc1C)c1ccccc1
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| InChI |
InChI=1S/C22H25N5O2/c1-16-9-7-8-12-19(16)25-22(28)27(18-10-5-4-6-11-18)20-13-14-23-21(26-20)24-17(2)15-29-3/h4-14,17H,15H2,1-3H3,(H,25,28)(H,23,24,26)/t17-/m0/s1
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| InChIKey |
BAHVVCPPJPREBI-KRWDZBQOSA-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