General Information of the Compound
| Compound ID |
CP0430276
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| Compound Name |
(S)-((S)-7,8-Dimethoxy-1-methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl)-(3,5-dimethoxy-phenoxy)-acetic acid
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| Structure |
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| Formula |
C28H30N2O8
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| Molecular Weight |
522.554
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| Canonical SMILES |
COc1cc(OC)cc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(C)c3cc(OC)c(OC)cc23)c2ccccc2)c1
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| InChI |
InChI=1S/C28H30N2O8/c1-30-22-15-24(37-5)23(36-4)14-21(22)28(29-16-25(30)31,17-9-7-6-8-10-17)26(27(32)33)38-20-12-18(34-2)11-19(13-20)35-3/h6-15,26,29H,16H2,1-5H3,(H,32,33)/t26-,28+/m1/s1
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| InChIKey |
SIDYXJUOCRCIEO-IAPPQJPRSA-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