General Information of the Compound
| Compound ID |
CP0560414
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| Compound Name |
US9365511, 13
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| Structure |
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| Formula |
C29H40N2O3
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| Molecular Weight |
464.65
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| Canonical SMILES |
C[C@H](NC(=O)CCc1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C29H40N2O3/c1-21-7-6-19-31(21)20-18-24-10-15-26(16-11-24)25-13-8-23(9-14-25)12-17-27(32)30-22(2)28(33)34-29(3,4)5/h8-11,13-16,21-22H,6-7,12,17-20H2,1-5H3,(H,30,32)/t21-,22+/m1/s1
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| InChIKey |
CNCFPFXXQOKBKD-YADHBBJMSA-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