General Information of the Compound
| Compound ID |
CP0410027
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| Compound Name |
(2R)-2-(3,4-dichlorophenyl)-N-[(2R)-1-[2-(dimethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]-4-(6-fluoro-1-methyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-methylbutanamide
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| Structure |
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| Formula |
C37H44Cl2FN5O4
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| Molecular Weight |
712.694
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| Canonical SMILES |
CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C37H44Cl2FN5O4/c1-36(26-10-12-29(38)30(39)23-26,34(47)42-31(22-25-8-6-5-7-9-25)33(46)41-17-21-43(2)3)14-18-45-19-15-37(16-20-45)28-24-27(40)11-13-32(28)44(4)35(48)49-37/h5-13,23-24,31H,14-22H2,1-4H3,(H,41,46)(H,42,47)/t31-,36-/m1/s1
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| InChIKey |
FNRNSHYJPSMLNY-RRTCDKLQSA-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: PT01199, Neuromedin-K receptor
Protein ID: PT01410, Substance-P receptor