General Information of the Compound
| Compound ID |
CP0952876
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| Compound Name |
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][1,3]diazepin-3-yl)-piperidin-1-yl]-ethyl}-1,9-bis-(2,2,2-trifluoro-ethyl)-1,3,6,7,9,10-hexahydro-1,3,9-triaza-cyclohepta[e]indene-2,8-dione
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| Formula |
C31H31ClF6N6O4
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| Molecular Weight |
701.068
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| Canonical SMILES |
O=C(C[C@@H]1Cc2cc(Cl)c3[nH]c(=O)n(CC(F)(F)F)c3c2CN(CC(F)(F)F)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1
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| InChI |
InChI=1S/C31H31ClF6N6O4/c32-22-12-18-11-19(13-24(45)41-8-6-20(7-9-41)43-10-5-17-3-1-2-4-23(17)39-28(43)47)27(46)42(15-30(33,34)35)14-21(18)26-25(22)40-29(48)44(26)16-31(36,37)38/h1-4,12,19-20H,5-11,13-16H2,(H,39,47)(H,40,48)/t19-/m0/s1
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| InChIKey |
ZZCZPUJKOFEFOY-IBGZPJMESA-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