General Information of the Compound
| Compound ID |
CP0456973
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| Compound Name |
(1R)-1-(4-chlorophenoxy)-3-(4,4-difluoropiperidin-1-yl)-9-(piperidin-4-ylmethyl)-2,3-dihydro-1H-carbazol-4-one
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| Structure |
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| Formula |
C29H32ClF2N3O2
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| Molecular Weight |
528.043
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| Canonical SMILES |
FC1(F)CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
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| InChI |
InChI=1S/C29H32ClF2N3O2/c30-20-5-7-21(8-6-20)37-25-17-24(34-15-11-29(31,32)12-16-34)28(36)26-22-3-1-2-4-23(22)35(27(25)26)18-19-9-13-33-14-10-19/h1-8,19,24-25,33H,9-18H2/t24?,25-/m1/s1
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| InChIKey |
QEWJDKVCDFGZSN-WUBHUQEYSA-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