General Information of the Compound
| Compound ID |
CP0463998
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| Compound Name |
[4-(3-carbamoylphenyl)-3-methoxyphenyl] N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate
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| Structure |
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| Formula |
C29H32Cl2N4O4
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| Molecular Weight |
571.505
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| Canonical SMILES |
COc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1cccc(c1)C(N)=O
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| InChI |
InChI=1S/C29H32Cl2N4O4/c1-38-26-19-22(10-11-23(26)20-6-4-7-21(18-20)28(32)36)39-29(37)33-12-2-3-13-34-14-16-35(17-15-34)25-9-5-8-24(30)27(25)31/h4-11,18-19H,2-3,12-17H2,1H3,(H2,32,36)(H,33,37)
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| InChIKey |
XCVFQMNYKCFHPH-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