General Information of the Compound
| Compound ID |
CP0577051
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| Compound Name |
(2R)-2-(5-chloro-2-methoxypyridin-4-yl)-1-[(2S)-7-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-2-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
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| Formula |
C27H28ClN7O2
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| Molecular Weight |
518.021
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| Canonical SMILES |
COc1cc([C@@H](C)C(=O)N2CC[C@]3(C2)CCc2cc(-c4nc5ccccn5n4)c(C)nc2N3)c(Cl)cn1
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| InChI |
InChI=1S/C27H28ClN7O2/c1-16(19-13-23(37-3)29-14-21(19)28)26(36)34-11-9-27(15-34)8-7-18-12-20(17(2)30-24(18)32-27)25-31-22-6-4-5-10-35(22)33-25/h4-6,10,12-14,16H,7-9,11,15H2,1-3H3,(H,30,32)/t16-,27+/m1/s1
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| InChIKey |
YCLNRTRWAOOWGU-JWIGPWBQSA-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