General Information of the Compound
| Compound ID |
CP0510224
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| Compound Name |
2-butylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
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| Structure |
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| Formula |
C23H28N2OS
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| Molecular Weight |
380.557
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| Canonical SMILES |
CCCCSc1nc2-c3ccccc3CC3(CCCC3)c2c(=O)n1CC=C
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| InChI |
InChI=1S/C23H28N2OS/c1-3-5-15-27-22-24-20-18-11-7-6-10-17(18)16-23(12-8-9-13-23)19(20)21(26)25(22)14-4-2/h4,6-7,10-11H,2-3,5,8-9,12-16H2,1H3
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| InChIKey |
BTGDGDJMJBASNW-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