General Information of the Compound
| Compound ID |
CP0419314
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| Compound Name |
US9428456, 1.072
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| Structure |
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| Formula |
C30H42N6O2
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| Molecular Weight |
518.706
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C30H42N6O2/c1-34-16-18-36(19-17-34)28-11-10-25(21-31-28)30(38)33-27-9-5-6-23(20-27)22-35-14-12-24(13-15-35)29(37)32-26-7-3-2-4-8-26/h5-6,9-11,20-21,24,26H,2-4,7-8,12-19,22H2,1H3,(H,32,37)(H,33,38)
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| InChIKey |
BQTGPSYKLVBZTD-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