General Information of the Compound
| Compound ID |
CP0464198
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| Compound Name |
2-[4-(8,10-dioxo-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-15-yl)-1,3-thiazol-2-yl]guanidine
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| Structure |
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| Formula |
C21H16N6O2S
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| Molecular Weight |
416.466
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| Canonical SMILES |
NC(N)=Nc1nc(cs1)-c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1
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| InChI |
InChI=1S/C21H16N6O2S/c22-20(23)27-21-25-13(7-30-21)8-4-5-12-11(6-8)14-16-15(18(28)26-19(16)29)9-2-1-3-10(9)17(14)24-12/h4-7,24H,1-3H2,(H,26,28,29)(H4,22,23,25,27)
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| InChIKey |
RFEORNDEYAQLPZ-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