General Information of the Compound
| Compound ID |
CP0858255
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| Compound Name |
N-((1R,3R,5S)-8-(3-((R)-2-carbamoylpyrrolidin-1-yl)propyl)-8-azabicyclo[3.2.1]octan-3-yl)-1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
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| Formula |
C28H39N5O3
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| Molecular Weight |
493.652
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| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CCCN2CCC[C@@H]2C(N)=O)cc2ccccc21
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| InChI |
InChI=1S/C28H39N5O3/c1-18(2)33-24-8-4-3-7-19(24)15-23(28(33)36)27(35)30-20-16-21-10-11-22(17-20)32(21)14-6-13-31-12-5-9-25(31)26(29)34/h3-4,7-8,15,18,20-22,25H,5-6,9-14,16-17H2,1-2H3,(H2,29,34)(H,30,35)/t20-,21+,22-,25-/m1/s1
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| InChIKey |
HIGFKWYFHAAARQ-WTEVXDJOSA-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