General Information of the Compound
| Compound ID |
CP0954980
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| Compound Name |
US8614213, 19.110
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| Formula |
C20H28ClN5O
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| Molecular Weight |
389.931
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| Canonical SMILES |
CCCc1cc(NC[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)n[nH]1
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| InChI |
InChI=1S/C20H28ClN5O/c1-3-4-17-10-19(26-25-17)23-11-14-5-7-16(8-6-14)24-20(27)18-9-15(21)12-22-13(18)2/h9-10,12,14,16H,3-8,11H2,1-2H3,(H,24,27)(H2,23,25,26)/t14-,16-
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| InChIKey |
UVEFOPUALBVJMA-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