General Information of the Compound
| Compound ID |
CP0926624
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| Compound Name |
SID131464628
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| Structure |
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| Formula |
C30H35N3O3
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| Molecular Weight |
485.628
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| Canonical SMILES |
COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@H]2C1
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| InChI |
InChI=1S/C30H35N3O3/c1-21-8-7-9-24(18-21)22-12-14-23(15-13-22)29-26-19-32(16-5-6-17-33(26)27(29)20-34)30(35)31-25-10-3-4-11-28(25)36-2/h3-4,7-15,18,26-27,29,34H,5-6,16-17,19-20H2,1-2H3,(H,31,35)/t26-,27-,29-/m1/s1
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| InChIKey |
LRWWXLKKHDRYIO-LSMIHOHGSA-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