General Information of the Compound
| Compound ID |
CP0523694
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| Compound Name |
CHEMBL2177367
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| Formula |
C28H38ClN5O3
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| Molecular Weight |
528.097
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| Canonical SMILES |
CO[C@H]1CC[C@@H](CC1)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@H](O)C[C@@H](C)c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H38ClN5O3/c1-18-15-24(35)26-25(18)27(32-17-31-26)33-11-13-34(14-12-33)28(36)23(19-3-5-20(29)6-4-19)16-30-21-7-9-22(37-2)10-8-21/h3-6,17-18,21-24,30,35H,7-16H2,1-2H3/t18-,21-,22-,23-,24-/m1/s1
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| InChIKey |
IHLLUUVHYRQMCS-YHBXUWTPSA-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