General Information of the Compound
| Compound ID |
CP0406848
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| Compound Name |
CHEMBL2403850
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| Formula |
C24H28ClN3
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| Molecular Weight |
393.962
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| Canonical SMILES |
Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NC1Cc2ccc(Cl)cc2C1
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| InChI |
InChI=1S/C24H28ClN3/c1-15-3-10-24-23(11-15)26-16(2)28(24)22-8-6-20(7-9-22)27-21-13-17-4-5-19(25)12-18(17)14-21/h3-5,10-12,20-22,27H,6-9,13-14H2,1-2H3/t20-,21?,22+
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| InChIKey |
FPALTSJFHHJHDH-BXAJPXNSSA-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