General Information of the Compound
| Compound ID |
CP0547127
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| Compound Name |
N-cyclopropyl-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidin-2-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C29H40N10O2
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| Molecular Weight |
560.707
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| Canonical SMILES |
Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)NC4CC4)cc3)n2)N2CCN(CCN3CCOCC3)CC2)[nH]n1
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| InChI |
InChI=1S/C29H40N10O2/c1-21-18-26(36-35-21)32-25-20-27(39-12-10-37(11-13-39)8-9-38-14-16-41-17-15-38)34-29(33-25)31-24-4-2-22(3-5-24)19-28(40)30-23-6-7-23/h2-5,18,20,23H,6-17,19H2,1H3,(H,30,40)(H3,31,32,33,34,35,36)
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| InChIKey |
ZXDMNASVPMILEW-UHFFFAOYSA-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