General Information of the Compound
| Compound ID |
CP0001111
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| Compound Name |
(2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol
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| Synonyms |
(2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol
(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
(2r)-2-{[6-(benzylamino)-9-isopropyl-9h-purin-2-yl]amino}-1-butanol
(R)-2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol
(R)-roscovitine
0ES1C2KQ94
186692-46-6
2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
2-(R)-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol
2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-(R)-1-butanol
6-(Benzylamino)-2(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine
AL-39256
BMK1-E12
CHEBI:45307
CHEMBL14762
CYC 202
CYC-202
CYC202
CYC202, Seliciclib, R-roscovitine, Roscovitine
M02443
NSC 701554
NSC-701554
NSC701554
R-Roscovitine
R-roscovitine
RRC
Rosco
Roscovitine
Roscovitine (Seliciclib,CYC202)
Seliciclib
UNII-0ES1C2KQ94
roscovitine
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| Structure |
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| Formula |
C19H26N6O
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| Molecular Weight |
354.458
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
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| InChI |
InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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| InChIKey |
BTIHMVBBUGXLCJ-OAHLLOKOSA-N
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| CAS |
186692-46-6
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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
Protein ID: PT00874, Cyclin-dependent kinase 2
Protein ID: PT06527, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Protein ID: PT06109, Geminin
Protein ID: PT01071, Tyrosine-protein kinase ABL1
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT02031, Voltage-dependent N-type calcium channel subunit alpha-1B
Clinical Information about the Compound
Drug 1 ( R-roscovitine )
| Drug Name | R-roscovitine | ||
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| Company | Cyclacel | ||
| Indication | |||
| Target(s) |
Cyclin-dependent kinase 2 (CDK2)
Inhibitor
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