General Information of the Compound
| Compound ID |
CP0449964
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| Compound Name |
US8614213, 1.18
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| Formula |
C18H22Cl2N4OS
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| Molecular Weight |
413.374
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| Canonical SMILES |
Cc1nc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2Cl)sc1C
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| InChI |
InChI=1S/C18H22Cl2N4OS/c1-10-11(2)26-18(23-10)22-8-12-3-5-14(6-4-12)24-17(25)15-7-13(19)9-21-16(15)20/h7,9,12,14H,3-6,8H2,1-2H3,(H,22,23)(H,24,25)/t12-,14-
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| InChIKey |
ZVNVSBYNJGKUBN-MQMHXKEQSA-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