General Information of the Compound
| Compound ID |
CP0538693
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| Compound Name |
(R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl 4-(isoquinolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C36H44N6O3
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| Molecular Weight |
608.787
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| Canonical SMILES |
Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3cn2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C36H44N6O3/c1-25-19-26(20-30-24-38-39-34(25)30)21-33(35(43)41-17-11-31(12-18-41)40-13-5-2-6-14-40)45-36(44)42-15-9-27(10-16-42)32-22-28-7-3-4-8-29(28)23-37-32/h3-4,7-8,19-20,22-24,27,31,33H,2,5-6,9-18,21H2,1H3,(H,38,39)/t33-/m1/s1
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| InChIKey |
XUQJHQJCHONDRE-MGBGTMOVSA-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