General Information of the Compound
| Compound ID |
CP0193626
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| Compound Name |
(S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-((S)-1-methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl)-acetic acid
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| Structure |
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| Formula |
C24H24N4O4
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| Molecular Weight |
432.48
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| Canonical SMILES |
CN1c2ccccc2[C@](NCC1=O)([C@H](Oc1nc(C)cc(C)n1)C(O)=O)c1ccccc1
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| InChI |
InChI=1S/C24H24N4O4/c1-15-13-16(2)27-23(26-15)32-21(22(30)31)24(17-9-5-4-6-10-17)18-11-7-8-12-19(18)28(3)20(29)14-25-24/h4-13,21,25H,14H2,1-3H3,(H,30,31)/t21-,24+/m1/s1
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| InChIKey |
FINMPMBYTTVLPJ-QPPBQGQZSA-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
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor