General Information of the Compound
| Compound ID |
CP0806700
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| Compound Name |
1-(11-Amino-5,6,6a,11b-tetrahydro-7-thia-8,10-diaza-benzo[c]fluoren-3-yl)-3-m-tolyl-urea
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| Structure |
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| Formula |
C22H21N5OS
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| Molecular Weight |
403.511
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc3c(c2)CCC2Sc4ncnc(N)c4C32)c1
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| InChI |
InChI=1S/C22H21N5OS/c1-12-3-2-4-14(9-12)26-22(28)27-15-6-7-16-13(10-15)5-8-17-18(16)19-20(23)24-11-25-21(19)29-17/h2-4,6-7,9-11,17-18H,5,8H2,1H3,(H2,23,24,25)(H2,26,27,28)
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| InChIKey |
JEYRDAZJCFJWJF-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