General Information of the Compound
Compound ID
CP0019292
Compound Name
8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
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Synonyms
1661839-45-7
2,8-Diazaspiro[4.5]decan-1-one, 8-[3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-
4TV
8-(3-chloro-5-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
8-[3-Chloro-5-[4-(1-methyl-1H-pyrazole-4-yl)phenyl]-4-pyridyl]-2,8-diazaspiro[4.5]decane-1-one
8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
8-{3-Chloro-5-[4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl]pyridin-4-Yl}-2,8-Diazaspiro[4.5]decan-1-One
AC-31717
AMY16654
BCP17378
BDBM50073190
CCT 251545
CCT 251545;CCT-251545
CCT-251545
CCT-251545;CCT 251545
CCT251545
CHEBI:143114
CHEMBL3408213
CS-5359
DB-119021
EX-A2539
GTPL8945
HY-12681
NSC-784591
NSC784591
Q27075796
SCHEMBL17113515
ZINC212373586
s7981
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Structure
Formula
C23H24ClN5O
Molecular Weight
421.932
Canonical SMILES
Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
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InChI
InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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InChIKey
LBFYQISQYCGDDW-UHFFFAOYSA-N
Physicochemical Property
logP
3.909
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
63.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 77050682
ChEMBL ID
CHEMBL3408213
Clinical Information about the Compound
Drug 1 ( CCT251545 )
Drug Name CCT251545
Company Merck
Indication
Colorectal cancer
Preclinical
Target(s)
Cyclin-dependent kinase 8 (CDK8)
Inhibitor