General Information of the Compound
| Compound ID |
CP0864092
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| Compound Name |
1-isopropyl-N-((1R,3r,5S)-8-(8-(4-(methylsulfonyl)piperazin-1-yl)octyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
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| Formula |
C33H51N5O4S
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| Molecular Weight |
613.869
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| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CCCCCCCCN2CCN(S(C)(=O)=O)CC2)cc2ccccc21
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| InChI |
InChI=1S/C33H51N5O4S/c1-25(2)38-31-13-9-8-12-26(31)22-30(33(38)40)32(39)34-27-23-28-14-15-29(24-27)37(28)17-11-7-5-4-6-10-16-35-18-20-36(21-19-35)43(3,41)42/h8-9,12-13,22,25,27-29H,4-7,10-11,14-21,23-24H2,1-3H3,(H,34,39)/t27-,28+,29-
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| InChIKey |
KAOSIRKPPAYQML-PKQPGRETSA-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