General Information of the Compound
| Compound ID |
CP0550487
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| Compound Name |
(2R,4S)-11-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8,10-triazatricyclo[5.4.0.02,4]undeca-1(7),8,10-trien-5-one
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| Formula |
C24H29ClN6O2
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| Molecular Weight |
468.989
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| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2NC(=O)[C@H]3C[C@H]3c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H29ClN6O2/c1-14(2)26-12-19(15-3-5-16(25)6-4-15)24(33)31-9-7-30(8-10-31)22-20-17-11-18(17)23(32)29-21(20)27-13-28-22/h3-6,13-14,17-19,26H,7-12H2,1-2H3,(H,27,28,29,32)/t17-,18+,19-/m1/s1
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| InChIKey |
KBKHULLGXKATKS-CEXWTWQISA-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