General Information of the Compound
| Compound ID |
CP0237398
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| Compound Name |
propan-2-yl N-[4-[4-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]butoxy]phenyl]but-3-ynyl]-N-hydroxycarbamate
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| Structure |
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| Formula |
C35H41F2N3O4
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| Molecular Weight |
605.726
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| Canonical SMILES |
CC(C)OC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C35H41F2N3O4/c1-27(2)44-35(41)40(42)21-4-3-7-28-8-18-33(19-9-28)43-26-6-5-20-38-22-24-39(25-23-38)34(29-10-14-31(36)15-11-29)30-12-16-32(37)17-13-30/h8-19,27,34,42H,4-6,20-26H2,1-2H3
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| InChIKey |
AITHPZKEMCVCDZ-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