General Information of the Compound
| Compound ID |
CP0550125
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| Compound Name |
US9000182, 5, isomer 1
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| Formula |
C17H20BrN3O
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| Molecular Weight |
362.271
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| Canonical SMILES |
CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1
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| InChI |
InChI=1S/C17H20BrN3O/c1-10-15(19)21-17(20-10)14-8-12(18)3-2-11(14)9-16(17)6-4-13(22)5-7-16/h2-3,8,13,22H,4-7,9H2,1H3,(H2,19,21)/t13-,16-,17-/m1/s1
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| InChIKey |
CLOXVWLCRWFUQF-KBRIMQKVSA-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