General Information of the Compound
| Compound ID |
CP0464220
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| Compound Name |
N-[(2S)-1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-5-[[2-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]amino]pentanamide
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| Structure |
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| Formula |
C36H46N6O3
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| Molecular Weight |
610.803
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| Canonical SMILES |
CC(C)(C)Oc1ccc(C[C@H](NC(=O)CCCCNc2cc(nn2-c2ccc(cc2)C(C)(C)C)-c2cccnc2)C(N)=O)cc1
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| InChI |
InChI=1S/C36H46N6O3/c1-35(2,3)27-14-16-28(17-15-27)42-32(23-30(41-42)26-10-9-20-38-24-26)39-21-8-7-11-33(43)40-31(34(37)44)22-25-12-18-29(19-13-25)45-36(4,5)6/h9-10,12-20,23-24,31,39H,7-8,11,21-22H2,1-6H3,(H2,37,44)(H,40,43)/t31-/m0/s1
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| InChIKey |
KHJHZZSDLXONLB-HKBQPEDESA-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