General Information of the Compound
| Compound ID |
CP0525717
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| Compound Name |
N-[(1R)-2-[[5-chloro-2-[5-(dimethylamino)pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]-4-piperazin-1-ylbutanamide
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| Structure |
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| Formula |
C28H37ClN8O
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| Molecular Weight |
537.112
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| Canonical SMILES |
CN(C)c1ccc(nc1)-c1nc(C)c(Cl)c(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)n1
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| InChI |
InChI=1S/C28H37ClN8O/c1-20-26(29)28(35-27(33-20)23-12-11-22(18-31-23)36(2)3)32-19-24(21-8-5-4-6-9-21)34-25(38)10-7-15-37-16-13-30-14-17-37/h4-6,8-9,11-12,18,24,30H,7,10,13-17,19H2,1-3H3,(H,34,38)(H,32,33,35)/t24-/m0/s1
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| InChIKey |
PLSOHYMTXJFTJD-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