General Information of the Compound
| Compound ID |
CP0538696
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| Compound Name |
(R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(pyridin-4-yl)piperazin-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 |
C35H37N7O4
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| Molecular Weight |
619.726
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| Canonical SMILES |
Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12
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| InChI |
InChI=1S/C35H37N7O4/c1-23-18-24(19-27-22-37-39-32(23)27)20-31(34(44)41-16-14-40(15-17-41)28-6-10-36-11-7-28)46-35(45)42-12-8-25(9-13-42)29-21-26-4-2-3-5-30(26)38-33(29)43/h2-7,10-11,18-19,21-22,25,31H,8-9,12-17,20H2,1H3,(H,37,39)(H,38,43)/t31-/m1/s1
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| InChIKey |
CNDMPYBCNMZLDY-WJOKGBTCSA-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