General Information of the Compound
| Compound ID |
CP0456936
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| Compound Name |
N-[(2S)-1-[[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]amino]-3-methylbutan-2-yl]-1-methylpiperidine-3-carboxamide
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| Structure |
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| Formula |
C23H31Cl2N5O2
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| Molecular Weight |
480.44
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| Canonical SMILES |
CC(C)[C@@H](CNc1nccc(OCc2ccc(Cl)cc2Cl)n1)NC(=O)C1CCCN(C)C1
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| InChI |
InChI=1S/C23H31Cl2N5O2/c1-15(2)20(28-22(31)16-5-4-10-30(3)13-16)12-27-23-26-9-8-21(29-23)32-14-17-6-7-18(24)11-19(17)25/h6-9,11,15-16,20H,4-5,10,12-14H2,1-3H3,(H,28,31)(H,26,27,29)/t16?,20-/m1/s1
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| InChIKey |
NWOFAIGNVNRPDV-OTOKDRCRSA-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