General Information of the Compound
| Compound ID |
CP0491567
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| Compound Name |
N-[(1R)-2-[[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]-4-phenylbutanamide
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| Structure |
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| Formula |
C28H27Cl2N5O
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| Molecular Weight |
520.464
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| Canonical SMILES |
Cc1nc(nc(NC[C@H](NC(=O)CCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C28H27Cl2N5O/c1-19-26(30)28(35-27(33-19)23-16-15-22(29)17-31-23)32-18-24(21-12-6-3-7-13-21)34-25(36)14-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-13,15-17,24H,8,11,14,18H2,1H3,(H,34,36)(H,32,33,35)/t24-/m0/s1
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| InChIKey |
QZLKLWALIASERX-DEOSSOPVSA-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