General Information of the Compound
| Compound ID |
CP0578365
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| Compound Name |
tert-butyl N-[1-[[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C26H32Cl2N6O4
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| Molecular Weight |
563.486
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| Canonical SMILES |
Cn1ccc(n1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CNC(=O)C(C)(C)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C26H32Cl2N6O4/c1-25(2,3)38-24(37)31-26(4,5)23(36)29-12-19(35)34-10-8-17-15(13-34)20-14(18-7-9-33(6)32-18)11-16(27)21(28)22(20)30-17/h7,9,11,30H,8,10,12-13H2,1-6H3,(H,29,36)(H,31,37)
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| InChIKey |
VBNVTZNVHDLHQE-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