General Information of the Compound
| Compound ID |
CP0530644
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| Compound Name |
US9428456, 1.196
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| Structure |
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| Formula |
C30H43N5O2
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| Molecular Weight |
505.707
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| Canonical SMILES |
CCN(CC)c1ccc(cn1)C(=O)Nc1cccc(c1)C(C)N1CCC(CC1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C30H43N5O2/c1-4-34(5-2)28-15-14-25(21-31-28)30(37)33-27-13-9-10-24(20-27)22(3)35-18-16-23(17-19-35)29(36)32-26-11-7-6-8-12-26/h9-10,13-15,20-23,26H,4-8,11-12,16-19H2,1-3H3,(H,32,36)(H,33,37)
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| InChIKey |
XMJFIIPQIJCROJ-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