General Information of the Compound
Compound ID
CP0572251
Compound Name
N-[(2R)-1-(1H-indazol-4-ylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide
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Structure
Formula
C24H28N4O3
Molecular Weight
420.513
Canonical SMILES
COc1ccc(cc1)C1(CCCC1)C(=O)N(C)[C@H](C)C(=O)Nc1cccc2[nH]ncc12
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InChI
InChI=1S/C24H28N4O3/c1-16(22(29)26-20-7-6-8-21-19(20)15-25-27-21)28(2)23(30)24(13-4-5-14-24)17-9-11-18(31-3)12-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,25,27)(H,26,29)/t16-/m1/s1
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InChIKey
IAVXXMLYPUUEOX-MRXNPFEDSA-N
Physicochemical Property
logP
3.8689
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
87.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 168289401
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: PT02510, Histone acetyltransferase p300
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000715 LK2 Homo sapiens (Human)  1
1
IC50 = 5020 nM
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