General Information of the Compound
| Compound ID |
CP0508303
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| Compound Name |
CHEMBL567950
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| Formula |
C21H29N5O2
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| Molecular Weight |
383.496
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| Canonical SMILES |
COc1cccc(c1)C(=O)N[C@H]1CC[C@H](CC1)Nc1nc(C)cc(n1)N(C)C
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| InChI |
InChI=1S/C21H29N5O2/c1-14-12-19(26(2)3)25-21(22-14)24-17-10-8-16(9-11-17)23-20(27)15-6-5-7-18(13-15)28-4/h5-7,12-13,16-17H,8-11H2,1-4H3,(H,23,27)(H,22,24,25)/t16-,17+
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| InChIKey |
GUYUEXAJPOSFAC-CALCHBBNSA-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