General Information of the Compound
| Compound ID |
CP0073928
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| Compound Name |
(2R)-2-[(9S)-7-(4-cyanophenyl)-4,5,13-trimethyl-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]propanamide
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| Structure |
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| Formula |
C22H20N4O2S
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| Molecular Weight |
404.495
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| Canonical SMILES |
C[C@H]([C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(cc1)C#N)C(N)=O
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| InChI |
InChI=1S/C22H20N4O2S/c1-10-13(4)29-21-16(10)19(15-7-5-14(9-23)6-8-15)25-18(11(2)22(24)27)20-17(21)12(3)26-28-20/h5-8,11,18H,1-4H3,(H2,24,27)/t11-,18+/m1/s1
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| InChIKey |
AVHQENNJMVDDPS-ZMZPIMSZSA-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