General Information of the Compound
| Compound ID |
CP0953225
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| Compound Name |
(S)-2-Amino-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-(1H-pyrazol-3-yl)propanamide
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| Structure |
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| Formula |
C23H24Cl2N8O2
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| Molecular Weight |
515.405
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| Canonical SMILES |
Cn1ccc(-c2cc(Cl)c(Cl)c3[nH]c4c(c23)CN(C(=O)CNC(=O)[C@@H](N)Cc2cc[nH]n2)CC4)n1
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| InChI |
InChI=1S/C23H24Cl2N8O2/c1-32-6-3-18(31-32)13-9-15(24)21(25)22-20(13)14-11-33(7-4-17(14)29-22)19(34)10-27-23(35)16(26)8-12-2-5-28-30-12/h2-3,5-6,9,16,29H,4,7-8,10-11,26H2,1H3,(H,27,35)(H,28,30)/t16-/m0/s1
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| InChIKey |
HNGKLVKSSLWVOJ-INIZCTEOSA-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