General Information of the Compound
| Compound ID |
CP0469638
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| Compound Name |
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(4-(pyridin-3-yl)phenyl)methanone
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| Structure |
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| Formula |
C26H24N4O2
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| Molecular Weight |
424.504
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C26H24N4O2/c1-18-17-29(25(31)21-7-4-19(5-8-21)23-3-2-11-27-16-23)13-14-30(18)26(32)22-9-6-20-10-12-28-24(20)15-22/h2-12,15-16,18,28H,13-14,17H2,1H3/t18-/m0/s1
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| InChIKey |
MHGREHPRCJCUIW-SFHVURJKSA-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