General Information of the Compound
| Compound ID |
CP0089788
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| Compound Name |
(1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol
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| Synonyms |
(-)-9-(trans-2,trans-3-Dihydroxy-4-(hydroxymethyl)-cyclopent-4-enyl)-adenine
(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
(1s,2r,5r)-5-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
4-Cyclopentene-1,2-diol, 3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-, (1S,2R,3R)-
72877-50-0
A-11079-B1B
AC1L2J1E
AC1Q4VG9
BDBM50006222
CCG-208688
CHEMBL8771
CTK5D6979
DIBRT
MolPort-044-561-069
NEOPLANOCIN A
NPC-A
NSC 316458
Nephanocin A
Neplanocin A
SCHEMBL10469277
ZINC3832328
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| Structure |
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| Formula |
C11H13N5O3
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| Molecular Weight |
263.257
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
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| InChIKey |
XUGWUUDOWNZAGW-VDAHYXPESA-N
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| CAS |
72877-50-0
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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
Clinical Information about the Compound