General Information of the Compound
| Compound ID |
CP0538695
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| Compound Name |
(R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(piperidin-1-yl)propan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C31H35N5O4
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| Molecular Weight |
541.652
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| Canonical SMILES |
Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C31H35N5O4/c1-20-15-21(16-24-19-32-34-28(20)24)17-27(30(38)35-11-5-2-6-12-35)40-31(39)36-13-9-22(10-14-36)25-18-23-7-3-4-8-26(23)33-29(25)37/h3-4,7-8,15-16,18-19,22,27H,2,5-6,9-14,17H2,1H3,(H,32,34)(H,33,37)/t27-/m1/s1
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| InChIKey |
ZTIKOGZHWZUEKW-HHHXNRCGSA-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