General Information of the Compound
| Compound ID |
CP0422950
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| Compound Name |
2-tert-butyl-1'-[2-(2-chlorophenyl)quinoline-4-carbonyl]spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
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| Structure |
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| Formula |
C30H29ClN4O3
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| Molecular Weight |
529.04
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| Canonical SMILES |
CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)CC(=O)c2n1
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| InChI |
InChI=1S/C30H29ClN4O3/c1-29(2,3)35-18-26-27(33-35)25(36)17-30(38-26)12-14-34(15-13-30)28(37)21-16-24(20-9-4-6-10-22(20)31)32-23-11-7-5-8-19(21)23/h4-11,16,18H,12-15,17H2,1-3H3
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| InChIKey |
KMMCVLSOZWRYOH-UHFFFAOYSA-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