General Information of the Compound
| Compound ID |
CP0568986
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| Compound Name |
(2S)-2-(6-methoxy-2-methylpyrimidin-4-yl)-1-[(2S)-7-methyl-6-(2-methyltetrazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
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| Formula |
C23H29N9O2
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| Molecular Weight |
463.546
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| Canonical SMILES |
COc1cc(nc(C)n1)[C@H](C)C(=O)N1CC[C@]2(C1)CCc1cc(-c3nnn(C)n3)c(C)nc1N2
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| InChI |
InChI=1S/C23H29N9O2/c1-13(18-11-19(34-5)26-15(3)25-18)22(33)32-9-8-23(12-32)7-6-16-10-17(14(2)24-20(16)27-23)21-28-30-31(4)29-21/h10-11,13H,6-9,12H2,1-5H3,(H,24,27)/t13-,23-/m0/s1
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| InChIKey |
GFYRXEAVMQZSPK-NPMABZOXSA-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