General Information of the Compound
| Compound ID |
CP0488022
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| Compound Name |
5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
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| Structure |
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| Formula |
C19H17N5OS
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| Molecular Weight |
363.446
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| Canonical SMILES |
Cc1cc2nccn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
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| InChI |
InChI=1S/C19H17N5OS/c1-10-7-14-22-5-6-24(14)19-15(10)16(20)17(26-19)18(25)23-12-8-11-3-2-4-21-13(11)9-12/h2-7,12H,8-9,20H2,1H3,(H,23,25)
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| InChIKey |
CJRABJQHOMPBQD-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