General Information of the Compound
| Compound ID |
CP0437062
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| Compound Name |
9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate
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| Structure |
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| Formula |
C27H28Cl2N4O2
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| Molecular Weight |
511.453
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)Oc3ccc4c(c3)[nH]c3ccccc43)CC2)c1Cl
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| InChI |
InChI=1S/C27H28Cl2N4O2/c28-22-7-5-9-25(26(22)29)33-16-14-32(15-17-33)13-4-3-12-30-27(34)35-19-10-11-21-20-6-1-2-8-23(20)31-24(21)18-19/h1-2,5-11,18,31H,3-4,12-17H2,(H,30,34)
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| InChIKey |
QKDZZWJEUUEDPE-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