General Information of the Compound
| Compound ID |
CP0904932
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| Compound Name |
(S)-6-Cyclopropylmethyl-2-(2,4-dichloro-phenyl)-7-isopropyl-4-methyl-7,8-dihydro-6H-1,3,6,8a-tetraaza-acenaphthylene
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| Structure |
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| Formula |
C22H24Cl2N4
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| Molecular Weight |
415.368
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| Canonical SMILES |
Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3C[C@H](C(C)C)N2CC1CC1
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| InChI |
InChI=1S/C22H24Cl2N4/c1-12(2)19-11-28-22-18(27(19)10-14-4-5-14)8-13(3)25-21(22)20(26-28)16-7-6-15(23)9-17(16)24/h6-9,12,14,19H,4-5,10-11H2,1-3H3/t19-/m1/s1
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| InChIKey |
DTEIKIHMFPQXSJ-LJQANCHMSA-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