General Information of the Compound
| Compound ID |
CP0551224
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| Compound Name |
CHEMBL3950405
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| Formula |
C24H32ClN3O2
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| Molecular Weight |
429.992
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| Canonical SMILES |
CC1(C)CN(CC[C@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)c1ccc2cccc(Cl)c2n1
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| InChI |
InChI=1S/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16-,18+,19-/m0/s1
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| InChIKey |
FSHAZAGZDCHQMH-UHOSZYNNSA-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