General Information of the Compound
| Compound ID |
CP0012933
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| Compound Name |
US10717746, Example 44
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| Structure |
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| Formula |
C23H31N5O2
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| Molecular Weight |
409.534
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| Canonical SMILES |
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CCC(C)(C)Cc12
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| InChI |
InChI=1S/C23H31N5O2/c1-15(29)26-18-6-4-5-17(11-18)22(30)27-21-12-16(7-9-24-21)19-14-25-28-10-8-23(2,3)13-20(19)28/h7,9,12,14,17-18H,4-6,8,10-11,13H2,1-3H3,(H,26,29)(H,24,27,30)/t17-,18+/m0/s1
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| InChIKey |
VNWYGUWLGRESFH-ZWKOTPCHSA-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