General Information of the Compound
| Compound ID |
CP0554801
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| Compound Name |
US9493412, 181
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| Formula |
C21H29N3O3
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| Molecular Weight |
371.481
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| Canonical SMILES |
CNCCCN1CC(C(=O)N[C@H]2CC[C@H](CC2)c2ccccc2)=C(O)C1=O
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| InChI |
InChI=1S/C21H29N3O3/c1-22-12-5-13-24-14-18(19(25)21(24)27)20(26)23-17-10-8-16(9-11-17)15-6-3-2-4-7-15/h2-4,6-7,16-17,22,25H,5,8-14H2,1H3,(H,23,26)/t16-,17+
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| InChIKey |
MYYCRGVRJCYKGY-CALCHBBNSA-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