General Information of the Compound
| Compound ID |
CP0670142
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| Compound Name |
(S)-N-(2'-amino-3-chloro-5'H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazole]-7-yl)-5-chloropicolinamide
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| Structure |
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| Formula |
C20H13Cl2N5O3
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| Molecular Weight |
442.262
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| Canonical SMILES |
NC1=N[C@@]2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1cnc(Cl)cc12
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| InChI |
InChI=1S/C20H13Cl2N5O3/c21-10-1-3-14(24-7-10)18(28)26-11-2-4-15-12(5-11)20(9-29-19(23)27-20)13-6-17(22)25-8-16(13)30-15/h1-8H,9H2,(H2,23,27)(H,26,28)/t20-/m0/s1
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| InChIKey |
UTRTWKKPCQFYBN-FQEVSTJZSA-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