General Information of the Compound
| Compound ID |
CP0544214
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| Compound Name |
(2R)-2-(3,5-dimethoxyphenyl)-1-[(2S)-7-methyl-6-(1-methylpyrazol-4-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
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| Formula |
C27H33N5O3
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| Molecular Weight |
475.593
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| Canonical SMILES |
COc1cc(OC)cc(c1)[C@@H](C)C(=O)N1CC[C@]2(C1)CCc1cc(-c3cnn(C)c3)c(C)nc1N2
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| InChI |
InChI=1S/C27H33N5O3/c1-17(20-10-22(34-4)13-23(11-20)35-5)26(33)32-9-8-27(16-32)7-6-19-12-24(18(2)29-25(19)30-27)21-14-28-31(3)15-21/h10-15,17H,6-9,16H2,1-5H3,(H,29,30)/t17-,27+/m1/s1
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| InChIKey |
VPLWSGGNMOIHSS-CRYYWNKWSA-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