General Information of the Compound
| Compound ID |
CP0418666
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| Compound Name |
CHEMBL3394413
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| Formula |
C25H31N5O2
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| Molecular Weight |
433.556
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| Canonical SMILES |
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccccn1)C(C3)C2
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| InChI |
InChI=1S/C25H31N5O2/c31-24(28-23-18-12-17-13-19(23)16-25(32,14-17)15-18)20-4-3-6-22(27-20)30-10-8-29(9-11-30)21-5-1-2-7-26-21/h1-7,17-19,23,32H,8-16H2,(H,28,31)/t17?,18?,19?,23-,25-
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| InChIKey |
QOMRMTSAQYVQAL-WCOOAQIDSA-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