General Information of the Compound
| Compound ID |
CP0004084
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| Compound Name |
3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol
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| Synonyms |
1-Propanol, 3-((4-(2-((3-chlorophenyl)amino)-4-pyrimidinyl)-2-pyridinyl)amino)-
1-propanol, 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]-
164658-13-3
16IP6G5MLC
3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]amino]propan-1-ol
3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol
3-[[4-[2-[(3-Chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol
AC1LD8S6
CGP 60474
CGP-60474
CGP60474
GNF-Pf-88
MLS000911536
MLS003105942
SMR000463552
UNII-16IP6G5MLC
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| Structure |
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| Formula |
C18H18ClN5O
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| Molecular Weight |
355.829
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| Canonical SMILES |
OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
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| InChI |
InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)
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| InChIKey |
IYNDTACKOAXKBJ-UHFFFAOYSA-N
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| CAS |
164658-13-3
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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: PT06109, Geminin
Protein ID: PT04520, Serine/threonine-protein kinase SMG1
Clinical Information about the Compound