General Information of the Compound
| Compound ID |
CP0502334
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| Compound Name |
(S)-4-(3,4-Difluoro-phenyl)-6-methoxymethyl-2-oxo-3-[(1R,3R)-3-(3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-yl)-cyclopentylcarbamoyl]-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
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| Structure |
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| Formula |
C30H35F2N5O5
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| Molecular Weight |
583.636
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| Canonical SMILES |
COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC
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| InChI |
InChI=1S/C30H35F2N5O5/c1-41-17-25-26(28(38)42-2)27(19-6-9-22(31)23(32)15-19)37(30(40)35-25)29(39)34-20-7-8-21(16-20)36-13-10-18(11-14-36)24-5-3-4-12-33-24/h3-6,9,12,15,18,20-21,27H,7-8,10-11,13-14,16-17H2,1-2H3,(H,34,39)(H,35,40)/t20-,21-,27+/m1/s1
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| InChIKey |
FPRCXYVVQHMAFI-GNMOFYLKSA-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor