General Information of the Compound
| Compound ID |
CP0198636
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| Compound Name |
N-[(1R)-1-(3-chloro-4-methoxyphenyl)propyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C21H28ClN5O3
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| Molecular Weight |
433.94
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| Canonical SMILES |
CC[C@@H](NC(=O)N1CCc2cnc(N[C@@H](C)CO)nc2C1)c1ccc(OC)c(Cl)c1
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| InChI |
InChI=1S/C21H28ClN5O3/c1-4-17(14-5-6-19(30-3)16(22)9-14)26-21(29)27-8-7-15-10-23-20(24-13(2)12-28)25-18(15)11-27/h5-6,9-10,13,17,28H,4,7-8,11-12H2,1-3H3,(H,26,29)(H,23,24,25)/t13-,17+/m0/s1
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| InChIKey |
SLPSOQSJJLVJPX-SUMWQHHRSA-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