General Information of the Compound
| Compound ID |
CP0571317
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| Compound Name |
4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-5-methyl-6,8-dihydropteridin-7-one;hydrochloride
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| Structure |
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| Formula |
C23H31Cl2N7O2
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| Molecular Weight |
508.454
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| Canonical SMILES |
Cl.CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2NC(=O)CN(C)c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H30ClN7O2.ClH/c1-15(2)25-12-18(16-4-6-17(24)7-5-16)23(33)31-10-8-30(9-11-31)22-20-21(26-14-27-22)28-19(32)13-29(20)3;/h4-7,14-15,18,25H,8-13H2,1-3H3,(H,26,27,28,32);1H/t18-;/m1./s1
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| InChIKey |
PLWWTXSONLTEJK-GMUIIQOCSA-N
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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: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Protein ID: PT01022, RAC-gamma serine/threonine-protein kinase