General Information of the Compound
| Compound ID |
CP0498464
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| Compound Name |
(2R)-3-(7-methyl-1H-indazol-5-yl)-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1-oxopropan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C36H44N6O4
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| Molecular Weight |
624.786
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| Canonical SMILES |
CN1CCC2(CC1)CCN(CC2)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-32(24)28)21-31(34(44)41-17-11-36(12-18-41)9-15-40(2)16-10-36)46-35(45)42-13-7-26(8-14-42)29-22-27-5-3-4-6-30(27)38-33(29)43/h3-6,19-20,22-23,26,31H,7-18,21H2,1-2H3,(H,37,39)(H,38,43)/t31-/m1/s1
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| InChIKey |
HRZHXNOUBFMSNO-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