General Information of the Compound
| Compound ID |
CP0579425
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| Compound Name |
CHEMBL5196819
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| Formula |
C28H37N5O2
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| Molecular Weight |
475.637
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| Canonical SMILES |
CC[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2ccnc(c2)C#N)CCN1
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| InChI |
InChI=1S/C28H37N5O2/c1-4-23-19-33(14-13-31-23)18-22-5-8-25(15-20(22)2)32(3)28(34)21-6-9-26(10-7-21)35-27-11-12-30-24(16-27)17-29/h5,8,11-12,15-16,21,23,26,31H,4,6-7,9-10,13-14,18-19H2,1-3H3/t21-,23-,26-/m0/s1
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| InChIKey |
HIBINNMRINZALX-KJOQGJGQSA-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