General Information of the Compound
| Compound ID |
CP0398274
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| Compound Name |
CHEMBL3394403
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| Formula |
C27H33N3O3
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| Molecular Weight |
447.579
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| Canonical SMILES |
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCC(O)(CC1)c1ccccc1)C(C3)C2
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| InChI |
InChI=1S/C27H33N3O3/c31-25(29-24-19-13-18-14-20(24)17-26(32,15-18)16-19)22-7-4-8-23(28-22)30-11-9-27(33,10-12-30)21-5-2-1-3-6-21/h1-8,18-20,24,32-33H,9-17H2,(H,29,31)/t18?,19?,20?,24-,26-
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| InChIKey |
HAHKGLGDVSSJMQ-YLDWFPEWSA-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