General Information of the Compound
| Compound ID |
CP0486455
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| Compound Name |
(1R)-1-(4-chlorophenoxy)-9-[[(3R,4R)-3-fluoropiperidin-4-yl]methyl]-3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-carbazol-4-one
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| Structure |
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| Formula |
C29H34ClFN4O2
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| Molecular Weight |
525.068
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| Canonical SMILES |
CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2C[C@H]1CCNC[C@@H]1F
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| InChI |
InChI=1S/C29H34ClFN4O2/c1-33-12-14-34(15-13-33)25-16-26(37-21-8-6-20(30)7-9-21)28-27(29(25)36)22-4-2-3-5-24(22)35(28)18-19-10-11-32-17-23(19)31/h2-9,19,23,25-26,32H,10-18H2,1H3/t19-,23+,25?,26-/m1/s1
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| InChIKey |
NLNIZEJOWHVZBP-FFCXENKVSA-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