General Information of the Compound
| Compound ID |
CP0947121
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| Compound Name |
6-(3,4-dimethylbenzoyl)-3-methoxy-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C26H27F3N4O3
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| Molecular Weight |
500.521
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| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C)c(C)c1)CC2
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| InChI |
InChI=1S/C26H27F3N4O3/c1-15-5-6-19(13-16(15)2)23(34)32-12-11-22-21(14-32)24(35)33(36-4)25(31-22)30-17(3)18-7-9-20(10-8-18)26(27,28)29/h5-10,13,17H,11-12,14H2,1-4H3,(H,30,31)/t17-/m0/s1
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| InChIKey |
NBBWMTCTNBMXIN-KRWDZBQOSA-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