General Information of the Compound
| Compound ID |
CP0575543
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| Compound Name |
CHEMBL4093843
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| Formula |
C30H40N6O
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| Molecular Weight |
500.691
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| Canonical SMILES |
CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2ccc(cc2n1)-c1ccccc1
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| InChI |
InChI=1S/C30H40N6O/c1-20(2)31-30-34-27-18-22(21-8-5-4-6-9-21)11-16-26(27)28(35-30)32-24-12-14-25(15-13-24)33-29(37)23-10-7-17-36(3)19-23/h4-6,8-9,11,16,18,20,23-25H,7,10,12-15,17,19H2,1-3H3,(H,33,37)(H2,31,32,34,35)/t23?,24-,25-
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| InChIKey |
FLGZPYKXGSMERW-FBQBJMIQSA-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