General Information of the Compound
Compound ID
CP0564938
Compound Name
TERRESTRIBISAMIDE
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Structure
Formula
C24H28N2O6
Molecular Weight
440.496
Canonical SMILES
COc1cc(\C=C\C(=O)NCCCCNC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
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InChI
InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)25-13-3-4-14-26-24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14H2,1-2H3,(H,25,29)(H,26,30)/b11-7+,12-8+
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InChIKey
CHEMZHJQHCVLFI-MKICQXMISA-N
CAS
42369-86-8
Physicochemical Property
logP
2.8542
Rotatable Bonds
11
Heavy Atom Count
32
Polar Areas
117.12
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
32

"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).

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PubChem ID
CID: 5321825
SID: 15603240
ChEMBL ID
CHEMBL1088758
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05154, Tyrosinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000396 B16-F1 Mus musculus (Mouse)  1
1
IC50 = 88400 nM
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