General Information of the Compound
| Compound ID |
CP0552313
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| Compound Name |
(1-(4-chlorophenoxy)-9-((1-methylpiperidin-4-yl)methyl)-9H-carbazol-3-yl)(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C31H35ClN4O2
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| Molecular Weight |
531.1
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| Canonical SMILES |
CN1CCC(Cn2c3ccccc3c3cc(cc(Oc4ccc(Cl)cc4)c23)C(=O)N2CCN(C)CC2)CC1
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| InChI |
InChI=1S/C31H35ClN4O2/c1-33-13-11-22(12-14-33)21-36-28-6-4-3-5-26(28)27-19-23(31(37)35-17-15-34(2)16-18-35)20-29(30(27)36)38-25-9-7-24(32)8-10-25/h3-10,19-20,22H,11-18,21H2,1-2H3
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| InChIKey |
QQSBLRVDNSHDAC-UHFFFAOYSA-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