General Information of the Compound
| Compound ID |
CP0346252
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| Compound Name |
US8536198, 76
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| Structure |
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| Formula |
C24H36ClN3O4
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| Molecular Weight |
466.022
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| Canonical SMILES |
C[C@@H](O)CNC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
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| InChI |
InChI=1S/C24H36ClN3O4/c1-16(29)14-26-22(31)27-20-7-5-4-6-19(20)21(30)28-13-12-24(32,23(2,3)15-28)17-8-10-18(25)11-9-17/h8-11,16,19-20,29,32H,4-7,12-15H2,1-3H3,(H2,26,27,31)/t16-,19+,20-,24+/m1/s1
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| InChIKey |
IIIVLZIYPZVTCR-QHCFZIRBSA-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