General Information of the Compound
| Compound ID |
CP0427912
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| Compound Name |
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-(4-tert-butylphenyl)-5-isoquinolin-3-ylpyrazol-3-yl]benzamide
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| Structure |
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| Formula |
C38H35N5O3
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| Molecular Weight |
609.73
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-n1nc(cc1-c1cccc(c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)-c1cc2ccccc2cn1
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| InChI |
InChI=1S/C38H35N5O3/c1-38(2,3)29-13-15-30(16-14-29)43-35(22-33(42-43)32-21-25-7-4-5-8-28(25)23-40-32)26-9-6-10-27(20-26)37(46)41-34(36(39)45)19-24-11-17-31(44)18-12-24/h4-18,20-23,34,44H,19H2,1-3H3,(H2,39,45)(H,41,46)/t34-/m0/s1
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| InChIKey |
KEUNWJNSNZWHBS-UMSFTDKQSA-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