General Information of the Compound
| Compound ID |
CP0102068
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| Compound Name |
CHEMBL3780091
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| Formula |
C18H21N5O
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| Molecular Weight |
323.4
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| Canonical SMILES |
N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+
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| InChIKey |
JLWGOAGEDWMEBT-TXEJJXNPSA-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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