General Information of the Compound
| Compound ID |
CP0230489
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| Compound Name |
CHEMBL4763626
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| Formula |
C18H16ClN5O5
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| Molecular Weight |
417.809
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| Canonical SMILES |
Cl.NCCO\N=C1\C(\Nc2ccc(O)cc\12)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O
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| InChI |
InChI=1S/C18H15N5O5.ClH/c19-5-6-28-22-16-12-8-10(24)2-4-14(12)20-17(16)15-11-7-9(23(26)27)1-3-13(11)21-18(15)25;/h1-4,7-8,20,24H,5-6,19H2,(H,21,25);1H/b17-15-,22-16+;
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| InChIKey |
HAMJUOWMJKLAIE-XVQBVDMMSA-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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| ChEMBL ID | |||||||||||||||||||
Table of Molecular Bioactivities Related to the Compound