General Information of the Compound
| Compound ID |
CP0441074
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| Compound Name |
US9212153, 16
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| Structure |
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| Formula |
C26H29ClN2O3
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| Molecular Weight |
452.982
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22C=C(N)N(C)C2=O)-c2cc(Cl)cc(OC)c2)CC1
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| InChI |
InChI=1S/C26H29ClN2O3/c1-29-23(28)15-26(24(29)30)22-12-16(18-10-19(27)13-21(11-18)32-3)4-5-17(22)14-25(26)8-6-20(31-2)7-9-25/h4-5,10-13,15,20H,6-9,14,28H2,1-3H3
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| InChIKey |
MNVSVDPEDMSTFY-UHFFFAOYSA-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