General Information of the Compound
| Compound ID |
CP0395612
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| Compound Name |
CHEMBL2403856
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| Formula |
C26H30N4
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| Molecular Weight |
398.554
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| Canonical SMILES |
Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N
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| InChI |
InChI=1S/C26H30N4/c1-17-3-10-26-25(11-17)29-18(2)30(26)24-8-6-23(7-9-24)28-16-20-13-21-5-4-19(15-27)12-22(21)14-20/h3-5,10-12,20,23-24,28H,6-9,13-14,16H2,1-2H3/t20-,23-,24+/m0/s1
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| InChIKey |
HPVHORCFAJLLQP-NKKJXINNSA-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