General Information of the Compound
| Compound ID |
CP0199056
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| Compound Name |
8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1H-1,7-naphthyridin-2-one
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| Structure |
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| Formula |
C27H35N5O2
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| Molecular Weight |
461.61
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| Canonical SMILES |
Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12
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| InChI |
InChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1
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| InChIKey |
NRTOKNHDXZZHCJ-DNQXCXABSA-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: PT03639, ATPase family AAA domain-containing protein 2
Protein ID: PT03234, Bromodomain adjacent to zinc finger domain protein 2A
Protein ID: PT03546, Bromodomain adjacent to zinc finger domain protein 2B
Protein ID: PT01511, Bromodomain-containing protein 2
Protein ID: PT02381, Bromodomain-containing protein 3
Protein ID: PT01462, Bromodomain-containing protein 4
Protein ID: PT03027, Bromodomain-containing protein 9
Protein ID: PT02952, Histone acetyltransferase KAT2A
Protein ID: PT03660, Nucleosome-remodeling factor subunit BPTF
Protein ID: PT02995, Peregrin
Protein ID: PT02679, Protein polybromo-1
Protein ID: PT03307, Transcription initiation factor TFIID subunit 1