General Information of the Compound
| Compound ID |
CP0563785
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| Compound Name |
US9346829, 28
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| Formula |
C20H23N5O2
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| Molecular Weight |
365.437
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| Canonical SMILES |
Cn1cc(cn1)-n1cc(C(=O)N[C@@H]2C[C@@H]3COC[C@H](C2)N3)c2ccccc12
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| InChI |
InChI=1S/C20H23N5O2/c1-24-9-16(8-21-24)25-10-18(17-4-2-3-5-19(17)25)20(26)23-13-6-14-11-27-12-15(7-13)22-14/h2-5,8-10,13-15,22H,6-7,11-12H2,1H3,(H,23,26)/t13-,14-,15+
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| InChIKey |
FIBVSKVLNCDGAJ-QKDCVEJESA-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