General Information of the Compound
| Compound ID |
CP0959305
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| Compound Name |
3-Chloro-4-((S)-6-cyclopropylmethyl-7-ethyl-4-methyl-7,8-dihydro-6H-1,3,6,8a-tetraaza-acenaphthylen-2-yl)-benzoic acid methyl ester
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| Structure |
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| Formula |
C23H25ClN4O2
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| Molecular Weight |
424.932
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| Canonical SMILES |
CC[C@H]1Cn2nc(-c3ccc(C(=O)OC)cc3Cl)c3nc(C)cc(c32)N1CC1CC1
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| InChI |
InChI=1S/C23H25ClN4O2/c1-4-16-12-28-22-19(27(16)11-14-5-6-14)9-13(2)25-21(22)20(26-28)17-8-7-15(10-18(17)24)23(29)30-3/h7-10,14,16H,4-6,11-12H2,1-3H3/t16-/m0/s1
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| InChIKey |
RROHVABCIKURGW-INIZCTEOSA-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