General Information of the Compound
| Compound ID |
CP0533418
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| Compound Name |
2-tert-butyl-1'-(2-piperazin-1-ylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
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| Structure |
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| Formula |
C28H34N6O3
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| Molecular Weight |
502.619
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| Canonical SMILES |
CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)N3CCNCC3)CC(=O)c2n1
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| InChI |
InChI=1S/C28H34N6O3/c1-27(2,3)34-18-23-25(31-34)22(35)17-28(37-23)8-12-33(13-9-28)26(36)20-16-24(32-14-10-29-11-15-32)30-21-7-5-4-6-19(20)21/h4-7,16,18,29H,8-15,17H2,1-3H3
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| InChIKey |
RXBBKCPPJFHIBS-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