General Information of the Compound
| Compound ID |
CP0463992
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| Compound Name |
[4-(3-carbamoylphenyl)phenyl] N-[4-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]carbamate
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| Structure |
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| Formula |
C29H31F3N4O3
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| Molecular Weight |
540.586
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| Canonical SMILES |
NC(=O)c1cccc(c1)-c1ccc(OC(=O)NCCCCN2CCN(CC2)c2ccccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C29H31F3N4O3/c30-29(31,32)25-8-1-2-9-26(25)36-18-16-35(17-19-36)15-4-3-14-34-28(38)39-24-12-10-21(11-13-24)22-6-5-7-23(20-22)27(33)37/h1-2,5-13,20H,3-4,14-19H2,(H2,33,37)(H,34,38)
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| InChIKey |
UQQGRIQPVHNBTP-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