General Information of the Compound
| Compound ID |
CP0571316
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| Compound Name |
(5R)-4-[(1S,6R)-5-[(2S)-2-(4-chlorophenyl)-3-[(4-methoxycyclohexyl)amino]propanoyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C29H37ClN6O3
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| Molecular Weight |
553.107
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| Canonical SMILES |
COC1CCC(CC1)NC[C@@H](C(=O)N1CCN([C@H]2C[C@@H]12)c1ncnc2NC(=O)C[C@@H](C)c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H37ClN6O3/c1-17-13-25(37)34-27-26(17)28(33-16-32-27)35-11-12-36(24-14-23(24)35)29(38)22(18-3-5-19(30)6-4-18)15-31-20-7-9-21(39-2)10-8-20/h3-6,16-17,20-24,31H,7-15H2,1-2H3,(H,32,33,34,37)/t17-,20?,21?,22-,23+,24-/m1/s1
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| InChIKey |
WZXPKDANYCNRFJ-HRZJXZCXSA-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