General Information of the Compound
| Compound ID |
CP0396883
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| Compound Name |
CHEMBL3322636
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| Formula |
C29H38N6O7
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| Molecular Weight |
582.658
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(N[C@H]2CC[C@H](O)CC2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H38N6O7/c1-2-42-29(41)35-16-14-34(15-17-35)28(40)22(12-13-25(37)38)32-27(39)23-18-24(30-20-8-10-21(36)11-9-20)33-26(31-23)19-6-4-3-5-7-19/h3-7,18,20-22,36H,2,8-17H2,1H3,(H,32,39)(H,37,38)(H,30,31,33)/t20-,21-,22-/m0/s1
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| InChIKey |
BKINGXHTXQMKKK-FKBYEOEOSA-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