General Information of the Compound
| Compound ID |
CP0955863
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| Compound Name |
(3S,4R,5S)-N-(2-(6,7-Dichloro-9-(1-methyl-1H-pyrazol-3-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-oxoethyl)-3,4,5-trihydroxycyclohex-1-ene-1-carboxamide
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| Structure |
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| Formula |
C24H25Cl2N5O5
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| Molecular Weight |
534.4
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| Canonical SMILES |
Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)C2=C[C@H](O)[C@H](O)[C@@H](O)C2)CC4)n1
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| InChI |
InChI=1S/C24H25Cl2N5O5/c1-30-4-2-16(29-30)12-8-14(25)21(26)22-20(12)13-10-31(5-3-15(13)28-22)19(34)9-27-24(36)11-6-17(32)23(35)18(33)7-11/h2,4,6,8,17-18,23,28,32-33,35H,3,5,7,9-10H2,1H3,(H,27,36)/t17-,18-,23-/m0/s1
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| InChIKey |
LEPRZSBIUGRQMB-BSRJHKFKSA-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