General Information of the Compound
| Compound ID |
CP0048312
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| Compound Name |
3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]heptylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
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| Structure |
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| Formula |
C37H46N6O2
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| Molecular Weight |
606.815
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| Canonical SMILES |
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
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| InChI |
InChI=1S/C37H46N6O2/c38-36(44)26-10-16-34-30(20-26)32(22-42-34)24-6-12-28(13-7-24)40-18-4-2-1-3-5-19-41-29-14-8-25(9-15-29)33-23-43-35-17-11-27(37(39)45)21-31(33)35/h6,8,10-11,16-17,20-23,28-29,40-43H,1-5,7,9,12-15,18-19H2,(H2,38,44)(H2,39,45)
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| InChIKey |
LXWHNYYETIMYQL-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