General Information of the Compound
| Compound ID |
CP0531301
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| Compound Name |
US9428456, 1.186
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| Structure |
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| Formula |
C31H42N6O2
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| Molecular Weight |
530.717
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| Canonical SMILES |
CC(C)n1ncc2c(cc(C)nc12)C(=O)Nc1cccc(c1)C(C)N1CCC(CC1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C31H42N6O2/c1-20(2)37-29-28(19-32-37)27(17-21(3)33-29)31(39)35-26-12-8-9-24(18-26)22(4)36-15-13-23(14-16-36)30(38)34-25-10-6-5-7-11-25/h8-9,12,17-20,22-23,25H,5-7,10-11,13-16H2,1-4H3,(H,34,38)(H,35,39)
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| InChIKey |
XLNMNYIJNPXLPI-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