General Information of the Compound
| Compound ID |
CP0970282
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| Compound Name |
4-(2-Amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)but-3-yn-2-ol
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| Structure |
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| Formula |
C17H18N4O
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| Molecular Weight |
294.358
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| Canonical SMILES |
CC(O)c1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3
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| InChI |
InChI=1S/C17H18N4O/c1-9(22)10-5-6-13-12(7-10)15-14(20-13)4-2-3-11-8-19-17(18)21-16(11)15/h5-9,20,22H,2-4H2,1H3,(H2,18,19,21)
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| InChIKey |
XKWXNMWBYFXVMR-UHFFFAOYSA-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