General Information of the Compound
| Compound ID |
CP0394883
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| Compound Name |
N-[(1R)-2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-1-phenylethyl]-3-piperazin-1-ylpropanamide
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| Structure |
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| Formula |
C25H30ClN7O
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| Molecular Weight |
480.016
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| Canonical SMILES |
Cc1nc(nc(NC[C@H](NC(=O)CCN2CCNCC2)c2ccccc2)c1Cl)-c1ccccn1
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| InChI |
InChI=1S/C25H30ClN7O/c1-18-23(26)25(32-24(30-18)20-9-5-6-11-28-20)29-17-21(19-7-3-2-4-8-19)31-22(34)10-14-33-15-12-27-13-16-33/h2-9,11,21,27H,10,12-17H2,1H3,(H,31,34)(H,29,30,32)/t21-/m0/s1
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| InChIKey |
ZPDZEKYMDZYYJD-NRFANRHFSA-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