General Information of the Compound
| Compound ID |
CP0512237
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| Compound Name |
US8614213, 19.54
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| Formula |
C20H24ClFN4O
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| Molecular Weight |
390.89
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| Canonical SMILES |
Cc1cc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)ncc1F
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| InChI |
InChI=1S/C20H24ClFN4O/c1-12-7-19(25-11-18(12)22)24-9-14-3-5-16(6-4-14)26-20(27)17-8-15(21)10-23-13(17)2/h7-8,10-11,14,16H,3-6,9H2,1-2H3,(H,24,25)(H,26,27)/t14-,16-
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| InChIKey |
PPPKSFAIKFKFSX-KOMQPUFPSA-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