General Information of the Compound
| Compound ID |
CP0578448
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| Compound Name |
CHEMBL5179573
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| Formula |
C28H38ClN3O3
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| Molecular Weight |
500.083
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2ccc(Cl)c(CO)c2)CCN1
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| InChI |
InChI=1S/C28H38ClN3O3/c1-19-14-24(7-4-22(19)17-32-13-12-30-20(2)16-32)31(3)28(34)21-5-8-25(9-6-21)35-26-10-11-27(29)23(15-26)18-33/h4,7,10-11,14-15,20-21,25,30,33H,5-6,8-9,12-13,16-18H2,1-3H3/t20-,21-,25-/m0/s1
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| InChIKey |
APUHSFRBOLQWNH-WATLYSKOSA-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