General Information of the Compound
| Compound ID |
CP0849090
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| Compound Name |
3-methoxy-6-(5-methyl-thiophene-2-carbonyl)-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 |
C23H23F3N4O3S
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| Molecular Weight |
492.523
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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)s1)CC2
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| InChI |
InChI=1S/C23H23F3N4O3S/c1-13-4-9-19(34-13)21(32)29-11-10-18-17(12-29)20(31)30(33-3)22(28-18)27-14(2)15-5-7-16(8-6-15)23(24,25)26/h4-9,14H,10-12H2,1-3H3,(H,27,28)/t14-/m0/s1
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| InChIKey |
AYOROMCOKBCBBM-AWEZNQCLSA-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